 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104096/Gau-32366.inp" -scrdir="/scratch/9104096/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32369.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer03_B3LYP_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer03_B3LYP_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:48:38 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H(Iso=2)              1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H                     1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           2           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   2.0141018   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           1           2           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.8574380   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           2           1
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018   1.0078250
 NucSpn=           2           1           1           1           2           2           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.0000000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9604460           3.8330675           3.6709090
 Leave Link  202 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               5.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer03_B3LYP_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.662137906507    
 DIIS: error= 6.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.662137906507     IErMin= 1 ErrMin= 6.46D-03
 ErrMax= 6.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-03 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.35D-01 WtEn= 6.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 GapD=    0.347 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.89D-03 MaxDP=6.62D-01              OVMax= 1.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.87D-03    CP:  1.17D+00
 E= -197.665276418144     Delta-E=       -0.003138511637 Rises=F Damp=F
 DIIS: error= 4.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.665276418144     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 4.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.21D-03
 Coeff-Com:  0.204D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.203D-02 0.998D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.33D-04 MaxDP=4.96D-02 DE=-3.14D-03 OVMax= 2.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.77D-04    CP:  1.18D+00  1.04D+00
 E= -197.665272399092     Delta-E=        0.000004019052 Rises=F Damp=F
 DIIS: error= 5.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -197.665276418144     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 5.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-05 BMatP= 2.79D-05
 IDIUse=3 WtCom= 2.98D-01 WtEn= 7.02D-01
 Coeff-Com: -0.703D-02 0.543D+00 0.464D+00
 Coeff-En:   0.000D+00 0.528D+00 0.472D+00
 Coeff:     -0.210D-02 0.533D+00 0.469D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=9.58D-05 MaxDP=1.01D-02 DE= 4.02D-06 OVMax= 1.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.43D-05    CP:  1.18D+00  1.03D+00  6.91D-01
 E= -197.665312238905     Delta-E=       -0.000039839812 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.665312238905     IErMin= 4 ErrMin= 5.48D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-07 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Coeff:     -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=9.46D-04 DE=-3.98D-05 OVMax= 2.12D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.15D-06    CP:  1.18D+00  1.04D+00  7.12D-01  9.07D-01
 E= -197.665312536480     Delta-E=       -0.000000297576 Rises=F Damp=F
 DIIS: error= 3.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.665312536480     IErMin= 5 ErrMin= 3.33D-05
 ErrMax= 3.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-07 BMatP= 3.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Coeff:     -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=5.15D-06 MaxDP=5.73D-04 DE=-2.98D-07 OVMax= 8.13D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.18D+00  1.04D+00  7.14D-01  9.42D-01  6.54D-01
 E= -197.665312673777     Delta-E=       -0.000000137297 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.665312673777     IErMin= 6 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-10 BMatP= 1.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Coeff:     -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=2.69D-05 DE=-1.37D-07 OVMax= 3.76D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.51D-07    CP:  1.18D+00  1.04D+00  7.13D-01  9.46D-01  6.78D-01
                    CP:  1.06D+00
 E= -197.665312674249     Delta-E=       -0.000000000472 Rises=F Damp=F
 DIIS: error= 1.83D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.665312674249     IErMin= 7 ErrMin= 1.83D-07
 ErrMax= 1.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-12 BMatP= 4.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff-Com:  0.821D+00
 Coeff:      0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff:      0.821D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.87D-08 MaxDP=8.84D-06 DE=-4.72D-10 OVMax= 3.49D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.70D-08    CP:  1.18D+00  1.04D+00  7.13D-01  9.45D-01  6.78D-01
                    CP:  1.04D+00  8.77D-01
 E= -197.665312674252     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.665312674252     IErMin= 8 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-14 BMatP= 3.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff-Com:  0.102D+00 0.893D+00
 Coeff:      0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff:      0.102D+00 0.893D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.34D-09 MaxDP=2.17D-07 DE=-2.33D-12 OVMax= 6.43D-08

 SCF Done:  E(RB3LYP) =  -197.665312674     A.U. after    8 cycles
            NFock=  8  Conv=0.43D-08     -V/T= 2.0132
 KE= 1.950982081673D+02 PE=-8.522127658160D+02 EE= 2.608771649952D+02
 Leave Link  502 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:             165.7 elap:              20.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11565385D+03

 Leave Link  801 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 9.61D-02 8.25D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 1.58D-02 1.94D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 1.01D-03 7.43D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 1.14D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 1.02D-07 6.79D-05.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 4.30D-10 3.46D-06.
     10 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 8.20D-13 2.16D-07.
      3 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 2.06D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension    90 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.660165D+02
      2  0.723682D-04  0.660159D+02
      3  0.346372D-03 -0.260924D-03  0.660163D+02
 Isotropic polarizability for W=    0.085645       66.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.275305D-04  0.954415D-03  0.257705D-02
      2  -0.533130D-03 -0.426835D-03  0.192632D-02
      3  -0.154030D-02 -0.130615D-03  0.399304D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.190746D-03  0.135326D-03  0.396514D-03
      2   0.135326D-03 -0.313933D-03  0.373456D-04
      3   0.396514D-03  0.373456D-04 -0.123324D-03
 OR G Eigenvalues:    -0.0004    -0.0003     0.0005  Iso=     0.0001
 Eigenvectors:
   (1)  -0.552296   0.475807   0.684527
   (2)   0.147382   0.863917  -0.481587
   (3)   0.820517   0.165092   0.547263
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 1.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.01D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 1.46D-02 3.81D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.37D-03 7.19D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 2.65D-05 1.43D-03.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 3.91D-07 1.17D-04.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 5.08D-10 5.05D-06.
     13 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 1.18D-12 1.66D-07.
      1 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 1.41D-15 8.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   194 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.723682D-04  0.346372D-03
      2   0.723682D-04  0.660159D+02 -0.260924D-03
      3   0.346372D-03 -0.260924D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107913D+01  0.644606D-01  0.391326D+01  0.629463D-01  0.488316D+01
      2   0.644606D-01  0.488173D+01  0.523517D+01  0.488316D+01 -0.303841D+01
      3   0.391326D+01  0.523517D+01 -0.379675D+01  0.522610D+01 -0.145797D+01
                 6             7             8             9            10 
      1   0.522610D+01  0.390845D+01  0.522892D+01 -0.379310D+01 -0.891704D+00
      2  -0.145797D+01  0.522892D+01 -0.145728D+01  0.297787D+01 -0.812247D-01
      3   0.297890D+01 -0.379310D+01  0.297787D+01 -0.244659D+01 -0.270880D+01
                11            12            13            14            15 
      1  -0.812247D-01 -0.270880D+01  0.194514D+00 -0.470696D+01 -0.403101D+01
      2  -0.369413D+01 -0.403338D+01 -0.470696D+01  0.142302D+01  0.202243D+01
      3  -0.403338D+01  0.324538D+01 -0.403101D+01  0.202243D+01 -0.200797D+01
                16            17            18            19            20 
      1  -0.353490D+01 -0.403127D+01  0.223429D+01  0.246412D+01  0.319037D+00
      2  -0.403127D+01  0.119302D+01 -0.228866D+01  0.319037D+00 -0.394293D+01
      3   0.223429D+01 -0.228866D+01  0.343979D+01 -0.255492D+01 -0.424696D+01
                21            22            23            24            25 
      1  -0.255492D+01 -0.497456D+00 -0.308018D+01 -0.424458D+01 -0.315891D+01
      2  -0.424696D+01 -0.308018D+01  0.386328D+01  0.136301D+01 -0.424518D+01
      3   0.260649D+01 -0.424458D+01  0.136301D+01 -0.227196D+01  0.346797D+01
                26            27            28            29            30 
      1  -0.424518D+01  0.346797D+01  0.224935D+01 -0.970075D+00 -0.309787D+01
      2   0.751574D+00 -0.145166D+01 -0.970075D+00 -0.424584D+01 -0.403838D+01
      3  -0.145166D+01  0.321056D+01 -0.309787D+01 -0.403838D+01  0.281850D+01
                31            32            33            34            35 
      1   0.161096D+00 -0.361881D+01 -0.403954D+01 -0.276123D+01 -0.403914D+01
      2  -0.361881D+01  0.640902D+00  0.109888D+01 -0.403914D+01  0.143893D+01
      3  -0.403954D+01  0.109888D+01 -0.229569D+01  0.345061D+01 -0.342955D+01
                36            37            38            39            40 
      1   0.345061D+01 -0.426503D+00  0.554554D+00 -0.392393D+01 -0.360578D-01
      2  -0.342955D+01  0.554554D+00 -0.345476D+01 -0.412074D+01 -0.393923D+01
      3   0.865957D+00 -0.392393D+01 -0.412074D+01  0.325474D+01 -0.411792D+01
                41            42            43            44            45 
      1  -0.393923D+01 -0.411792D+01 -0.282617D+01 -0.411983D+01  0.276646D+01
      2   0.359894D+01  0.909304D-01 -0.411983D+01  0.119280D+01 -0.219264D+01
      3   0.909304D-01 -0.278892D+01  0.276646D+01 -0.219264D+01  0.174564D+00
                46            47            48            49            50 
      1  -0.726441D+00  0.460703D+00 -0.652725D+00  0.683955D+00  0.278529D+00
      2   0.460703D+00 -0.512313D+00  0.102359D+01  0.278529D+00  0.189379D+01
      3  -0.652725D+00  0.102359D+01 -0.220563D+01  0.356487D+00 -0.216643D+01
                51            52            53            54            55 
      1   0.356487D+00 -0.994331D+00  0.402455D+00 -0.340373D+00  0.328510D+01
      2  -0.216643D+01  0.402455D+00 -0.204715D+01  0.260710D+01 -0.187291D+01
      3   0.280920D+01 -0.340373D+00  0.260710D+01 -0.720885D+01 -0.106388D+01
                56            57            58            59            60 
      1  -0.187291D+01 -0.106388D+01 -0.326825D+01  0.287047D+01  0.180232D+01
      2   0.212254D+01  0.106994D+01  0.287047D+01 -0.452095D+01 -0.175940D+01
      3   0.106994D+01  0.845483D+00  0.180232D+01 -0.175940D+01 -0.190356D+01
                61            62            63            64            65 
      1  -0.696688D+00  0.998889D+00  0.968364D+00  0.509018D+01  0.247070D+01
      2   0.998889D+00 -0.112214D+01 -0.955653D+00  0.247070D+01  0.242246D+01
      3   0.968364D+00 -0.955653D+00 -0.176381D+01  0.870275D+00  0.734056D+00
                66            67            68            69            70 
      1   0.870275D+00  0.308336D+01  0.289770D+01  0.668899D+00  0.249618D+01
      2   0.734056D+00  0.289770D+01  0.314725D+01  0.379660D+00  0.142274D+01
      3   0.785242D+00  0.668899D+00  0.379660D+00  0.118829D+01  0.808188D+00
                71            72            73            74            75 
      1   0.142274D+01  0.808188D+00 -0.235007D+01  0.327662D+00 -0.169762D+01
      2   0.127769D+01  0.100204D+01  0.327662D+00 -0.241984D+00  0.666420D+00
      3   0.100204D+01  0.926270D+00 -0.169762D+01  0.666420D+00 -0.224196D+01
                76            77            78            79            80 
      1   0.134610D+01 -0.344154D+00  0.139410D+01 -0.215232D+01  0.591587D+00
      2  -0.344154D+00  0.844108D+00 -0.122080D+01  0.591587D+00 -0.140194D+01
      3   0.139410D+01 -0.122080D+01  0.236572D+01 -0.297575D+01  0.903183D+00
                81            82            83            84            85 
      1  -0.297575D+01 -0.625664D+01 -0.196845D+01  0.194755D+01 -0.121529D+01
      2   0.903183D+00 -0.196845D+01 -0.135256D+01  0.862172D+00 -0.112326D+01
      3  -0.653695D+01  0.194755D+01  0.862172D+00 -0.187263D+01  0.804894D+00
                86            87            88            89            90 
      1  -0.112326D+01  0.804894D+00  0.354581D+01  0.155911D+01 -0.208394D+01
      2  -0.157529D+01  0.496566D+00  0.155911D+01  0.136835D+01 -0.620973D+00
      3   0.496566D+00 -0.296461D+00 -0.208394D+01 -0.620973D+00  0.190243D+01
                91            92            93            94            95 
      1   0.105646D+01 -0.123920D+01 -0.222068D+00 -0.137676D+01  0.116359D+01
      2  -0.123920D+01  0.300716D+01  0.122202D+01  0.116359D+01 -0.757723D+01
      3  -0.222068D+00  0.122202D+01  0.788412D+00  0.554222D+00 -0.222606D+01
                96            97            98            99           100 
      1   0.554222D+00 -0.154414D+00  0.600883D+00  0.170579D-01 -0.207570D+01
      2  -0.222606D+01  0.600883D+00 -0.170105D+01 -0.141577D+01  0.146619D+01
      3  -0.156519D+01  0.170579D-01 -0.141577D+01 -0.155948D+01 -0.101164D+01
               101           102           103           104           105 
      1   0.146619D+01 -0.101164D+01  0.109890D+01 -0.105745D+01  0.108775D+01
      2  -0.108009D+01  0.114806D+01 -0.105745D+01  0.310483D+01 -0.182707D+01
      3   0.114806D+01 -0.151151D+01  0.108775D+01 -0.182707D+01  0.181415D+01
               106           107           108           109           110 
      1  -0.184791D+01  0.184478D+01 -0.193262D+01  0.210602D+01  0.178322D+01
      2   0.184478D+01 -0.339571D+01  0.260481D+01  0.178322D+01  0.361595D+01
      3  -0.193262D+01  0.260481D+01 -0.413701D+01  0.130572D+01  0.166457D+01
               111           112           113           114           115 
      1   0.130572D+01  0.140405D+01  0.180009D+01  0.999949D+00  0.125282D+01
      2   0.166457D+01  0.180009D+01  0.489913D+01  0.184297D+01  0.104474D+01
      3   0.134896D+01  0.999949D+00  0.184297D+01  0.174600D+01  0.609196D+00
               116           117           118           119           120 
      1   0.104474D+01  0.609196D+00 -0.561312D+01  0.633151D+00  0.303792D+01
      2   0.223982D+01  0.215227D+01  0.633151D+00 -0.912310D+00  0.127454D-01
      3   0.215227D+01  0.208776D+01  0.303792D+01  0.127454D-01 -0.277302D+01
               121           122           123           124           125 
      1  -0.870226D+00 -0.368744D+00  0.739110D+00  0.325386D+01 -0.609890D-01
      2  -0.368744D+00 -0.335159D+00  0.446439D+00 -0.609890D-01  0.938825D+00
      3   0.739110D+00  0.446439D+00 -0.418581D+00 -0.286747D+01  0.640907D+00
               126           127           128           129           130 
      1  -0.286747D+01  0.246733D+01 -0.221618D+01  0.496711D+00 -0.236029D+01
      2   0.640907D+00 -0.221618D+01  0.289986D+01  0.146849D+00  0.306899D+01
      3   0.334225D+01  0.496711D+00  0.146849D+00  0.485012D+00  0.830016D-01
               131           132           133           134           135 
      1   0.306899D+01  0.830016D-01 -0.438278D+00  0.839898D+00  0.203132D+00
      2  -0.684206D+01  0.395682D+00  0.839898D+00 -0.126710D+01 -0.571252D+00
      3   0.395682D+00 -0.114942D+01  0.203132D+00 -0.571252D+00 -0.450337D+00
               136           137           138           139           140 
      1  -0.321181D+01 -0.977499D+00  0.266541D+01 -0.644355D+00 -0.473364D+00
      2  -0.977499D+00 -0.119486D+01  0.154329D+01 -0.473364D+00 -0.137786D+01
      3   0.266541D+01  0.154329D+01 -0.407637D+01  0.874048D+00  0.120688D+01
               141           142           143           144           145 
      1   0.874048D+00  0.208464D+01  0.919458D+00 -0.227782D+01  0.391257D+01
      2   0.120688D+01  0.919458D+00  0.107273D+01 -0.120085D+01  0.124586D+01
      3  -0.881288D+00 -0.227782D+01 -0.120085D+01  0.493544D+01  0.269660D+01
               146           147           148           149           150 
      1   0.124586D+01  0.269660D+01  0.223376D+01  0.174962D+01  0.184217D+01
      2   0.168207D+01  0.111057D+01  0.174962D+01  0.185172D+01  0.131426D+01
      3   0.111057D+01  0.229967D+01  0.184217D+01  0.131426D+01  0.267677D+01
               151           152           153 
      1   0.202341D+01  0.104295D+01  0.174581D+01
      2   0.104295D+01  0.918618D+00  0.123883D+01
      3   0.174581D+01  0.123883D+01  0.321802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114656D-01  0.494625D-03  0.463333D-02  0.735341D-03 -0.152995D-01
      2   0.888904D-02  0.127591D-01  0.490748D+01  0.137896D-01  0.386834D-02
      3  -0.223003D-01 -0.490451D+01 -0.470642D-02  0.490961D+01 -0.215999D-01
                 6             7             8             9            10 
      1  -0.490585D+01  0.178573D-01  0.490495D+01 -0.746029D-02  0.114615D+01
      2   0.733930D-02 -0.490465D+01 -0.722775D-02  0.546899D-02 -0.677214D+01
      3  -0.388120D-02  0.440725D-02 -0.472895D-02 -0.123411D-01 -0.907318D+00
                11            12            13            14            15 
      1   0.654382D+01  0.359867D+01  0.817479D+01 -0.184367D+01 -0.425369D+01
      2  -0.603538D+01  0.327550D+01 -0.558765D+01 -0.256667D+01 -0.764683D+01
      3   0.412402D+01  0.488878D+01  0.981883D+01 -0.311619D+01 -0.560537D+01
                16            17            18            19            20 
      1   0.415479D+01  0.794756D+00  0.716734D+00 -0.315433D+01 -0.197462D+01
      2  -0.359156D+01 -0.819654D+01  0.932300D+01  0.632729D+01  0.602738D+01
      3   0.443664D+01 -0.398177D+01  0.404116D+01 -0.408506D+01 -0.712488D+01
                21            22            23            24            25 
      1   0.713542D+01 -0.299170D+01 -0.288307D+01 -0.541597D+01  0.850776D+01
      2  -0.356887D+01  0.505941D+01 -0.418780D+01 -0.150183D+01 -0.928116D+01
      3  -0.287119D+01 -0.820215D+00  0.974221D+01  0.718058D+01 -0.190203D+01
                26            27            28            29            30 
      1   0.169920D+00  0.602902D+01  0.436730D+01  0.448773D+01 -0.691298D+01
      2  -0.287590D+01 -0.215584D+01  0.112054D+01  0.450015D+01  0.607784D+00
      3   0.616651D+01 -0.563216D+01  0.435581D+01 -0.848489D+01 -0.886681D+01
                31            32            33            34            35 
      1   0.490151D+01 -0.232096D+01  0.329464D+01 -0.829176D+01  0.955896D+01
      2   0.375571D+01  0.741160D+00  0.451034D+01 -0.394639D+01  0.588774D+01
      3  -0.167587D+01 -0.676524D+01 -0.564507D+01 -0.812348D+01 -0.522949D+01
                36            37            38            39            40 
      1  -0.202799D+01 -0.234351D+01 -0.904803D+01 -0.384058D+01 -0.100745D+02
      2  -0.184657D+01 -0.686919D+00 -0.451041D+01  0.114269D+02 -0.325045D+01
      3   0.240536D+01  0.654338D+00 -0.260708D+00  0.685538D+01  0.442821D+01
                41            42            43            44            45 
      1   0.706304D+01 -0.537319D+01 -0.439714D+01  0.121308D+01 -0.472247D+01
      2   0.600980D+01  0.465062D+01  0.507637D+01  0.520303D+01 -0.533402D+01
      3   0.148219D+00  0.406104D+01  0.560146D+01  0.304319D+01 -0.804828D+00
                46            47            48            49            50 
      1  -0.299363D+00  0.888660D+00  0.905123D-01 -0.370761D+00 -0.215146D+01
      2  -0.272841D+01  0.173807D+01 -0.234248D+01  0.268618D+01 -0.245776D+01
      3  -0.140423D+01 -0.512702D-01 -0.144157D+01  0.141747D+01 -0.201308D+01
                51            52            53            54            55 
      1  -0.683155D-01 -0.407380D+00  0.397279D+01  0.669562D+00  0.248343D+01
      2   0.435209D+01 -0.501489D+01  0.423117D+01 -0.976094D+01  0.244583D+01
      3   0.280380D+01 -0.223789D+01  0.281490D+01 -0.383674D+01  0.271110D+01
                56            57            58            59            60 
      1  -0.370398D+01 -0.750563D+00 -0.349680D+01  0.678307D+01  0.751715D-01
      2  -0.569164D+00  0.157573D+01 -0.194150D+01  0.894707D+00 -0.184130D+01
      3  -0.557824D+01 -0.189801D+01 -0.244317D+01  0.885933D+01  0.260530D+01
                61            62            63            64            65 
      1  -0.152959D+01  0.278861D+01  0.998944D+00 -0.317040D+01 -0.285889D+01
      2  -0.760999D+00  0.420198D-01 -0.156008D+01  0.617656D+01  0.405963D+01
      3  -0.139663D+01  0.266149D+01  0.151114D+01 -0.498132D+00 -0.460271D+01
                66            67            68            69            70 
      1  -0.245886D+01 -0.323865D+01 -0.304313D+01 -0.294702D+01 -0.167302D+01
      2   0.457231D+01  0.409069D+01  0.378159D+01  0.411241D+01  0.227190D+01
      3  -0.902905D+00 -0.869213D+00 -0.416164D+01 -0.520485D+00 -0.211127D+00
                71            72            73            74            75 
      1  -0.798599D+00 -0.226399D+01 -0.203343D+01  0.196788D+01 -0.321622D+01
      2   0.282843D+01  0.320526D+01 -0.740488D+00 -0.629200D+00  0.274723D+01
      3  -0.202147D+01 -0.116594D+01  0.240527D+01 -0.200687D+01  0.264134D+01
                76            77            78            79            80 
      1   0.143439D+01 -0.312302D+01  0.244927D+01 -0.359335D+01  0.537443D+01
      2   0.513435D+00  0.124529D+01 -0.206524D+01 -0.974907D+00 -0.931079D+00
      3  -0.479455D+00  0.200136D+01 -0.266919D+01  0.255952D+01 -0.375818D+01
                81            82            83            84            85 
      1  -0.737584D+01  0.390382D+01  0.117776D+01 -0.390225D+01  0.175589D+01
      2   0.600157D+01 -0.640833D+01 -0.246019D+01  0.681680D+01 -0.202980D+01
      3   0.453941D+01  0.509608D+01 -0.187707D+01 -0.142979D+01  0.136859D+01
                86            87            88            89            90 
      1   0.128719D+01 -0.173394D+01 -0.326781D+01 -0.879842D-02  0.327400D+01
      2  -0.132290D+01  0.167023D+01  0.360402D+01  0.152979D+01 -0.544239D+01
      3  -0.102086D+01 -0.455219D+00 -0.257946D+01  0.124235D+01  0.174683D+01
                91            92            93            94            95 
      1   0.860132D+00 -0.142862D+01  0.933834D+00 -0.579198D+00  0.435334D+01
      2   0.164055D+01 -0.215085D+01  0.164949D+00 -0.287516D+01  0.370327D+01
      3  -0.391889D+01  0.342914D+01  0.129767D+01  0.644612D+01 -0.944965D+01
                96            97            98            99           100 
      1  -0.266554D+01 -0.532817D+00  0.111339D+01 -0.114500D+01  0.201305D+01
      2   0.170361D+01 -0.121740D+01  0.191871D+01  0.133911D+01  0.917029D+00
      3  -0.311292D+01  0.167189D+01 -0.283158D+01 -0.140951D+01 -0.224106D+01
               101           102           103           104           105 
      1  -0.177130D+01  0.385728D+01 -0.230777D+01  0.320660D+01 -0.555183D+01
      2  -0.155265D+01  0.306606D+01 -0.777754D+00  0.203685D+01 -0.290235D+01
      3  -0.113013D+00 -0.435693D+00  0.235935D+01  0.135827D+01  0.284787D+00
               106           107           108           109           110 
      1   0.347917D+01 -0.272216D+01  0.909691D+01 -0.129806D+01 -0.670740D-01
      2   0.185413D+00 -0.266634D+01  0.550551D+01 -0.297396D+01 -0.199868D+01
      3  -0.242655D+01 -0.967868D+00 -0.814256D+00  0.624224D+01  0.360960D+01
               111           112           113           114           115 
      1  -0.246859D+01 -0.913618D+00  0.728581D-01 -0.391098D+01 -0.515704D+00
      2  -0.256359D+00 -0.255710D+01 -0.244473D+01 -0.135196D+01 -0.255859D+01
      3   0.328973D+01  0.623898D+01  0.594298D+01  0.334830D+01  0.418947D+01
               116           117           118           119           120 
      1  -0.663937D+00 -0.282739D+01 -0.448889D+01 -0.204329D+01  0.460032D+01
      2  -0.204652D+01 -0.126082D+01  0.110525D+01 -0.361190D+00  0.330820D+01
      3   0.307537D+01  0.258690D+01 -0.780936D+01 -0.275410D+01  0.483217D+01
               121           122           123           124           125 
      1  -0.102858D+01 -0.124943D+01 -0.453355D-01  0.423662D+01  0.171223D+01
      2   0.844420D-01 -0.239525D+00  0.335602D+00 -0.852613D+00 -0.408414D+00
      3  -0.500086D+00 -0.139633D+01  0.126490D+01  0.526600D+01  0.242760D+01
               126           127           128           129           130 
      1  -0.453025D+01 -0.275331D+01  0.480272D+01  0.200106D+01  0.468581D+01
      2  -0.265433D+01 -0.293677D+01  0.323506D+01  0.127522D+01  0.364416D+01
      3  -0.384984D+01 -0.150971D+01 -0.162837D+01 -0.504718D+00  0.251872D+01
               131           132           133           134           135 
      1  -0.965928D+01 -0.378583D+01  0.112212D+01 -0.121162D+01 -0.191371D+01
      2  -0.449750D+01 -0.238031D+01 -0.177994D+00 -0.134796D+01 -0.102628D+01
      3   0.298012D+01 -0.203857D+00  0.301018D+00  0.399404D+00  0.230304D+00
               136           137           138           139           140 
      1   0.742305D+00 -0.193845D+01 -0.145611D+01  0.162243D+00 -0.138046D+01
      2   0.829196D+01  0.206098D+01 -0.415546D+01  0.221697D+01  0.120946D+01
      3   0.392603D+01 -0.494320D+00 -0.280003D+01  0.176938D+01  0.675011D+00
               141           142           143           144           145 
      1  -0.189375D+00 -0.473171D+00  0.264618D+01  0.244417D+01  0.403658D+01
      2  -0.180567D+01 -0.723109D+01 -0.217303D+01  0.545183D+01 -0.478623D+01
      3  -0.134655D+01 -0.311366D+01 -0.518358D+00  0.265683D+01 -0.299413D+01
               146           147           148           149           150 
      1   0.496521D+01  0.278443D+01  0.388556D+01  0.490367D+01  0.202081D+01
      2  -0.136633D+01 -0.414013D+00 -0.304536D+01 -0.190912D+01  0.153229D+00
      3  -0.428889D+01 -0.264928D+01 -0.147754D+01 -0.376378D+01 -0.198584D+01
               151           152           153 
      1   0.316272D+01  0.416291D+01  0.358437D+01
      2  -0.363519D+01 -0.986993D+00  0.209176D+00
      3  -0.203958D+01 -0.251738D+01 -0.219232D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529765D+01 -0.302676D+01  0.275589D+01 -0.302116D+01 -0.221449D+01
      2  -0.222128D+01  0.323551D+01 -0.128449D+01  0.323554D+01  0.255658D+01
      3  -0.307637D+01 -0.208749D+00 -0.147141D+01 -0.214377D+00 -0.342085D+00
      4  -0.303557D+01 -0.172982D+01 -0.863023D+00 -0.171944D+01  0.325330D+01
      5   0.273878D+01 -0.868131D+00 -0.259208D+01 -0.875815D+00 -0.127662D+01
      6  -0.868710D+00 -0.129608D+01 -0.212150D+00 -0.127964D+01 -0.374869D+01
                 6             7             8             9            10 
      1  -0.867761D+00  0.275057D+01 -0.855803D+00 -0.307941D+01 -0.605228D+01
      2  -0.373957D+01 -0.127753D+01 -0.373745D+01 -0.335076D+00 -0.350004D+01
      3   0.460733D+01 -0.147304D+01  0.459326D+01  0.341448D+01  0.955232D+01
      4  -0.127747D+01 -0.858346D+00 -0.129107D+01 -0.228731D+00 -0.151334D+01
      5  -0.212224D+00 -0.258229D+01 -0.216226D+00 -0.148325D+01 -0.563392D+01
      6   0.162768D+00 -0.225542D+00  0.151649D+00  0.460231D+01 -0.404946D+01
                11            12            13            14            15 
      1  -0.446236D+01 -0.190621D+01 -0.440305D+01 -0.827359D+01 -0.143157D+02
      2  -0.615129D+01  0.351335D+01 -0.536070D+01  0.502841D+01  0.176150D+01
      3   0.106136D+02 -0.160714D+01  0.976375D+01  0.324518D+01  0.125542D+02
      4  -0.127617D+02 -0.100578D+02 -0.140286D+02  0.246275D+01  0.185291D+01
      5  -0.867561D+01  0.588608D+01 -0.959869D+01  0.711842D+01  0.299158D+01
      6   0.412890D+01  0.873815D+01  0.495678D+01 -0.380452D+01 -0.742841D+01
                16            17            18            19            20 
      1  -0.294297D+01 -0.145591D+02  0.138910D+02 -0.914511D+01 -0.934702D+01
      2   0.296212D+01  0.226448D+01 -0.101923D+01  0.273864D+01  0.654418D+01
      3  -0.191545D-01  0.122947D+02 -0.128717D+02  0.640646D+01  0.280284D+01
      4  -0.112269D+02  0.493546D+00 -0.122316D+01 -0.423454D+01  0.139030D+01
      5   0.591853D+01  0.223706D+01 -0.645092D+00  0.509108D+01  0.714729D+01
      6   0.712858D+01 -0.720227D+01  0.809733D+01  0.642456D+01  0.109797D+02
                21            22            23            24            25 
      1   0.530806D+01 -0.880646D+01  0.141386D+02  0.929654D+01  0.641027D+01
      2   0.881164D+01  0.481087D+01 -0.146017D+02 -0.113924D+02  0.792051D+01
      3  -0.141197D+02  0.399559D+01  0.463052D+00  0.209581D+01 -0.143308D+02
      4   0.109649D+02  0.224076D+01  0.308040D+01  0.461384D+01  0.120189D+02
      5  -0.619767D+01  0.753342D+01  0.388070D+01  0.833757D+01 -0.747039D+01
      6   0.330212D+00  0.968266D+01 -0.776393D+01 -0.184291D+01  0.300032D-01
                26            27            28            29            30 
      1   0.996473D+01 -0.513479D+01 -0.347995D+01  0.743431D+01  0.111818D+02
      2  -0.110072D+02  0.117768D+02  0.496537D+01 -0.947198D+01 -0.170667D+02
      3   0.104248D+01 -0.664200D+01 -0.148543D+01  0.203767D+01  0.588488D+01
      4   0.502486D+01  0.451563D+00  0.261013D+01 -0.109441D+01 -0.229580D+01
      5   0.684747D+01 -0.948131D+01  0.680011D+01  0.298481D+01 -0.106633D+02
      6  -0.121722D+01  0.857457D+00 -0.563304D+01 -0.134886D+02  0.422355D+01
                31            32            33            34            35 
      1   0.683297D+01  0.554420D+01  0.589977D+01  0.115091D+02  0.497557D+01
      2  -0.836527D+01 -0.271545D+01 -0.373411D+00 -0.169092D+02 -0.546035D-01
      3   0.153230D+01 -0.282875D+01 -0.552635D+01  0.540007D+01 -0.492096D+01
      4  -0.228358D+00 -0.102806D+02 -0.114974D+02 -0.150990D+01 -0.124364D+02
      5   0.469616D+01 -0.673267D+01  0.807100D+00 -0.109562D+02  0.225257D+01
      6  -0.123904D+02  0.226972D+01 -0.902834D+01  0.516308D+01 -0.101163D+02
                36            37            38            39            40 
      1  -0.185209D+01  0.285452D+01  0.182587D+01 -0.104249D+02  0.181153D+01
      2  -0.293002D+01  0.435166D+01  0.139940D+02  0.280588D+01  0.138357D+02
      3   0.478211D+01 -0.720618D+01 -0.158199D+02  0.761898D+01 -0.156472D+02
      4   0.837345D+01 -0.141727D+01 -0.796780D+01  0.898370D-01 -0.843636D+01
      5   0.138468D+00 -0.208703D+01 -0.274728D+01 -0.107479D+02 -0.391934D+01
      6   0.298652D+01  0.197180D+01 -0.354387D+01 -0.136435D+02 -0.418530D+01
                41            42            43            44            45 
      1  -0.284994D+01 -0.218970D+01 -0.108026D+02 -0.169830D+01  0.362073D+00
      2  -0.768893D+01  0.434154D+01  0.408139D+01  0.313682D+01  0.357915D+01
      3   0.105389D+02 -0.215184D+01  0.672121D+01 -0.143852D+01 -0.394122D+01
      4   0.962758D+01  0.309116D+01 -0.579084D+00  0.498921D+01 -0.792444D+01
      5  -0.619718D+01 -0.124897D+02 -0.923797D+01 -0.116789D+02  0.776436D+01
      6   0.364070D+01  0.698574D+00 -0.126566D+02  0.938537D+00 -0.496690D+01
                46            47            48            49            50 
      1  -0.173426D+01  0.334493D+01 -0.574903D+01  0.282894D+01 -0.610008D+01
      2  -0.441038D+00 -0.979623D+00 -0.152818D+01 -0.774521D+00  0.238753D+01
      3   0.217530D+01 -0.236530D+01  0.727722D+01 -0.205442D+01  0.371255D+01
      4  -0.675892D+00  0.229866D+01 -0.239188D+00  0.375666D+01  0.240132D+01
      5   0.281977D+01 -0.775111D+00  0.305743D+01 -0.158620D+01 -0.280897D+01
      6  -0.196137D+01  0.286360D+01 -0.392485D+01  0.220042D+00 -0.897835D+01
                51            52            53            54            55 
      1   0.952618D+01 -0.411328D+01  0.920666D+01 -0.201167D+02  0.131034D+02
      2  -0.925819D-01  0.105378D+01 -0.684962D-01 -0.104105D+02 -0.740095D+01
      3  -0.943360D+01  0.305950D+01 -0.913816D+01  0.305272D+02 -0.570250D+01
      4  -0.299094D+01 -0.687698D+00 -0.345371D+01  0.367478D+01 -0.801487D+01
      5   0.368599D+01  0.543768D+01  0.311138D+01 -0.936048D+01 -0.963034D+01
      6   0.119842D+02 -0.142892D+01  0.115532D+02 -0.156715D+02  0.487041D+01
                56            57            58            59            60 
      1  -0.592700D+01 -0.315454D+01 -0.872365D+01  0.313169D+01  0.150233D+01
      2   0.449779D+01  0.395453D+01  0.581756D+01  0.674994D+00 -0.386758D+01
      3   0.142922D+01 -0.799991D+00  0.290609D+01 -0.380668D+01  0.236525D+01
      4   0.105560D+02  0.415313D+01  0.121144D+02 -0.156752D+02 -0.512521D+01
      5   0.689450D+01  0.697110D+01  0.101037D+02 -0.786115D+01 -0.867049D+01
      6  -0.520409D+01 -0.341365D+01 -0.643745D+01  0.120243D+02  0.740250D+01
                61            62            63            64            65 
      1  -0.174190D+01  0.166157D+01 -0.126752D+01  0.225787D+02  0.928185D+01
      2   0.362798D+01 -0.277606D+01 -0.385772D+01 -0.624672D+01  0.749111D+00
      3  -0.188608D+01  0.111450D+01  0.512524D+01 -0.163320D+02 -0.100310D+02
      4   0.362027D+01 -0.354128D+01 -0.360868D+01  0.150341D+02  0.135079D+02
      5   0.684299D+01 -0.559997D+01 -0.679673D+01 -0.182670D+01 -0.110171D-01
      6  -0.383632D+01  0.647673D+01  0.314009D+01 -0.154871D+01 -0.275850D+01
                66            67            68            69            70 
      1   0.404641D+01  0.103833D+02  0.513438D+01  0.312923D+01  0.811989D+01
      2  -0.192675D+00  0.855106D+00  0.570370D+01  0.172757D+01 -0.207625D+01
      3  -0.385373D+01 -0.112384D+02 -0.108381D+02 -0.485681D+01 -0.604364D+01
      4   0.354689D+01  0.149510D+02  0.140209D+02  0.229171D+01  0.622921D+01
      5   0.454456D+01 -0.870330D+00 -0.104952D+01  0.354036D+01  0.352819D+01
      6   0.501550D+00 -0.265034D+01 -0.189546D+01  0.345429D+01  0.626005D+00
                71            72            73            74            75 
      1   0.344847D+01  0.146510D+01  0.741705D+01 -0.459803D+00  0.351431D+01
      2   0.205640D+01 -0.154073D+00 -0.821531D+01  0.158449D+01 -0.870170D+01
      3  -0.550487D+01 -0.131103D+01  0.798259D+00 -0.112468D+01  0.518739D+01
      4   0.531081D+01  0.374211D+01  0.138297D+01  0.281081D+01 -0.564775D+00
      5   0.264850D+01  0.446230D+01  0.983994D+01 -0.286706D+01  0.127690D+02
      6   0.232991D+01  0.103408D+01  0.272249D+00  0.300507D+00  0.196453D+01
                76            77            78            79            80 
      1  -0.247926D+01 -0.152902D+01 -0.572620D+00  0.358063D+01 -0.161335D+01
      2   0.340912D+01 -0.989049D+00  0.712550D+01 -0.100462D+02  0.579020D+01
      3  -0.929864D+00  0.251807D+01 -0.655288D+01  0.646561D+01 -0.417685D+01
      4   0.209853D+01 -0.363982D+01  0.277571D+01  0.325625D+00  0.360136D+01
      5  -0.569509D+01  0.327063D+01 -0.683750D+01  0.143356D+02 -0.334617D+01
      6   0.607832D+00 -0.236489D+01  0.354681D+01  0.224713D+01  0.491563D+01
                81            82            83            84            85 
      1  -0.335806D+01  0.261000D+02  0.592723D+01 -0.796682D+01  0.403154D+01
      2  -0.190017D+02 -0.816043D+01  0.121454D+01  0.784983D+00  0.185509D+01
      3   0.223597D+02 -0.179396D+02 -0.714177D+01  0.718184D+01 -0.588664D+01
      4  -0.456586D-01  0.172465D+02  0.104522D+02 -0.592393D+01  0.928921D+01
      5   0.211522D+02 -0.390557D+01 -0.136681D+01  0.745229D+01 -0.123473D+01
      6   0.431283D+01 -0.387696D+01 -0.191921D+01  0.431942D+01 -0.241453D+01
                86            87            88            89            90 
      1   0.842795D+00 -0.184383D+01 -0.114414D+02 -0.209575D+01  0.508587D+01
      2   0.448803D+01 -0.140910D+00  0.241253D+01 -0.157381D+01 -0.316447D+01
      3  -0.533083D+01  0.198474D+01  0.902886D+01  0.366957D+01 -0.192140D+01
      4   0.657017D+01 -0.400232D+01 -0.926133D+01 -0.689447D+01  0.462396D+01
      5  -0.182822D+01  0.550461D+00  0.730627D+01  0.149736D+01 -0.665030D+01
      6  -0.357622D+00  0.304927D+01  0.431358D+01  0.304215D+01 -0.569425D+01
                91            92            93            94            95 
      1  -0.194874D+01  0.816828D+01  0.244550D+01  0.631198D+01 -0.220363D+02
      2   0.377975D+01 -0.100976D+02 -0.206457D+01 -0.596347D+01  0.323226D+02
      3  -0.183101D+01  0.192936D+01 -0.380926D+00 -0.348514D+00 -0.102863D+02
      4  -0.371636D+01  0.407276D+01  0.237921D+00  0.560470D+01  0.435975D+01
      5  -0.307026D+01  0.173098D+01  0.206321D+01  0.224926D+01 -0.308180D+00
      6   0.224626D+01 -0.628498D+01 -0.451119D+01 -0.321433D+01  0.177485D+02
                96            97            98            99           100 
      1  -0.801970D+01  0.109657D+01 -0.718398D+01 -0.502239D+01  0.458991D+01
      2   0.715889D+01 -0.174051D+01  0.583880D+01  0.201467D+01  0.298149D+00
      3   0.860810D+00  0.643945D+00  0.134518D+01  0.300772D+01 -0.488806D+01
      4   0.118651D+01  0.433377D-01  0.976513D+00  0.304955D+00 -0.876763D+01
      5   0.542796D+00  0.293374D+01 -0.163816D+00  0.153569D+01  0.338325D+01
      6   0.109104D+02 -0.187391D+01  0.102937D+02  0.685345D+01 -0.362058D+01
               101           102           103           104           105 
      1  -0.189747D+01  0.106454D+01 -0.956034D+00 -0.556647D+01  0.177999D+01
      2  -0.296302D+01  0.250405D+01 -0.358017D+01  0.137086D+02 -0.655671D+01
      3   0.486049D+01 -0.356860D+01  0.453621D+01 -0.814217D+01  0.477672D+01
      4   0.868288D+01 -0.547228D+01  0.777688D+01 -0.891195D+01  0.691793D+01
      5  -0.309124D+01  0.670592D+01 -0.249128D+01  0.420120D+01 -0.360890D+01
      6   0.449754D+01 -0.514092D+01  0.470046D+01 -0.785315D+01  0.970466D+01
               106           107           108           109           110 
      1   0.191434D+01  0.366345D+01 -0.264950D+01 -0.257260D+01 -0.856925D+01
      2   0.259484D+01 -0.101375D+02  0.307216D+01  0.417108D+01  0.128953D+02
      3  -0.450917D+01  0.647402D+01 -0.422663D+00 -0.159848D+01 -0.432603D+01
      4  -0.844056D+01  0.100234D+02 -0.786832D+01  0.896604D+01  0.731631D+01
      5   0.709556D+01 -0.489501D+01  0.928164D+01  0.296033D+01  0.185948D+01
      6  -0.610770D+01  0.114216D+02 -0.156170D+02  0.536499D+01  0.838303D+01
               111           112           113           114           115 
      1  -0.545091D+01 -0.613402D+01 -0.157680D+02 -0.774109D+01 -0.467578D+01
      2   0.423569D+01  0.806002D+01  0.237177D+02  0.759274D+01  0.378727D+01
      3   0.121522D+01 -0.192600D+01 -0.794967D+01  0.148353D+00  0.888510D+00
      4   0.394889D+01  0.702082D+01  0.500042D+01  0.300787D+01  0.406806D+01
      5   0.366101D+01  0.131472D+01  0.157200D+01  0.309417D-01  0.420127D+01
      6   0.657059D+01  0.569311D+01  0.127220D+02  0.107749D+02  0.375600D+01
               116           117           118           119           120 
      1  -0.861956D+01 -0.711448D+01  0.186182D+02  0.331182D+00 -0.750780D+01
      2   0.823520D+01  0.403543D+01 -0.134717D+02 -0.240464D+01  0.968412D+01
      3   0.384364D+00  0.307905D+01 -0.514659D+01  0.207346D+01 -0.217632D+01
      4   0.270722D+01  0.151653D+01 -0.119030D+02  0.625628D+01  0.628152D+01
      5   0.437963D+00  0.117439D+01 -0.158284D+02  0.809380D+00  0.133232D+02
      6   0.120688D+02  0.998334D+01  0.662422D+01 -0.167301D+01 -0.666083D+01
               121           122           123           124           125 
      1   0.278251D+01  0.776282D+00 -0.136943D+01 -0.773794D+01 -0.173950D+01
      2  -0.313325D+01 -0.779889D+00  0.307628D+01  0.994446D+01  0.286302D+01
      3   0.350737D+00  0.360691D-02 -0.170685D+01 -0.220652D+01 -0.112352D+01
      4   0.347925D+01  0.818091D+00 -0.117098D+01  0.712340D+01 -0.251240D+01
      5  -0.189298D+01 -0.188200D+01  0.154705D+01  0.136628D+02 -0.127640D+01
      6  -0.760227D+00  0.658673D-01  0.292439D+01 -0.623768D+01  0.510385D+01
               126           127           128           129           130 
      1   0.195374D+01  0.487388D+01 -0.215912D+01 -0.129717D+00 -0.210484D+01
      2  -0.862999D+01  0.170401D+01 -0.706661D+01 -0.123661D+01 -0.739559D+01
      3   0.667626D+01 -0.657789D+01  0.922573D+01  0.136632D+01  0.950043D+01
      4  -0.600412D+01 -0.103389D+02  0.126886D+02 -0.389387D+00  0.129932D+02
      5  -0.130083D+02  0.475286D+01 -0.377632D+01  0.440404D+01 -0.464779D+01
      6   0.700920D+01 -0.404589D+01  0.609781D+01 -0.124681D+01  0.600536D+01
               131           132           133           134           135 
      1  -0.633024D+01  0.248490D+01 -0.104308D+01  0.528111D+00 -0.495866D+00
      2   0.233483D+02  0.125807D+01 -0.106802D+01  0.395758D+01  0.157811D+01
      3  -0.170181D+02 -0.374297D+01  0.211110D+01 -0.448569D+01 -0.108224D+01
      4  -0.179176D+02  0.436255D+00  0.223708D+01 -0.252805D+01 -0.166639D+01
      5   0.564869D+01 -0.205283D+01  0.256881D+01 -0.917347D+00 -0.112821D+01
      6  -0.132492D+02  0.617024D+01 -0.500078D+00  0.331194D+01  0.800010D+00
               136           137           138           139           140 
      1  -0.227764D+01 -0.355099D+01  0.893607D+01 -0.243915D+01 -0.370345D+01
      2  -0.423968D+01  0.341547D+00  0.536043D+01 -0.337350D+00  0.249736D+01
      3   0.651732D+01  0.320944D+01 -0.142965D+02  0.277650D+01  0.120610D+01
      4   0.643051D+01  0.436770D+01 -0.403006D+01  0.436588D+01  0.833092D+00
      5  -0.126442D+02 -0.289237D+01  0.111240D+02 -0.195039D+01 -0.206647D+01
      6  -0.521593D+01 -0.658219D+01  0.904785D+01 -0.380299D+01 -0.608872D+01
               141           142           143           144           145 
      1   0.468768D+01  0.684976D+01  0.505793D+01 -0.138852D+02  0.979907D+01
      2  -0.136043D+01  0.290939D+01 -0.500844D+00 -0.947473D+01 -0.121225D+02
      3  -0.332726D+01 -0.975916D+01 -0.455709D+01  0.233599D+02  0.232348D+01
      4  -0.230529D+01 -0.340595D+01 -0.183815D+01  0.395929D+01  0.194727D+01
      5   0.292270D+01  0.100572D+02  0.320913D+01 -0.863807D+01  0.162407D+02
      6   0.799616D+01  0.614266D+01  0.778361D+01 -0.110560D+02  0.304615D+01
               146           147           148           149           150 
      1   0.308622D+01  0.303777D+01  0.408481D+01  0.793120D+00 -0.138660D+01
      2  -0.592168D+01 -0.958000D+01 -0.696855D+01 -0.163780D+01 -0.651888D+01
      3   0.283546D+01  0.654224D+01  0.288374D+01  0.844676D+00  0.790548D+01
      4   0.516922D+01  0.612997D+00  0.473788D+01  0.399749D+01  0.219610D+01
      5   0.564426D+01  0.142554D+02  0.886535D+01  0.631933D+01  0.891511D+01
      6   0.549941D+01  0.305801D+01  0.526931D+01  0.763329D+01  0.553682D+01
               151           152           153 
      1   0.226760D+01 -0.140927D+00 -0.279261D+01
      2  -0.817680D+01 -0.428637D+01 -0.110897D+02
      3   0.590920D+01  0.442729D+01  0.138823D+02
      4   0.303836D+00  0.136862D+01  0.192287D+01
      5   0.123747D+02  0.585248D+01  0.116830D+02
      6   0.345976D+01  0.516030D+01  0.332879D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:            2107.3 elap:             263.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19399 -10.17098 -10.17098 -10.17098 -10.17096
 Alpha  occ. eigenvalues --   -0.81661  -0.67907  -0.67907  -0.67906  -0.53009
 Alpha  occ. eigenvalues --   -0.45052  -0.45052  -0.45052  -0.40265  -0.40265
 Alpha  occ. eigenvalues --   -0.36497  -0.36497  -0.36497  -0.32404  -0.32404
 Alpha  occ. eigenvalues --   -0.32403
 Alpha virt. eigenvalues --    0.01275   0.05491   0.05491   0.05491   0.08011
 Alpha virt. eigenvalues --    0.08012   0.08012   0.10343   0.11644   0.11645
 Alpha virt. eigenvalues --    0.14323   0.14323   0.14323   0.15436   0.15436
 Alpha virt. eigenvalues --    0.15436   0.16394   0.16394   0.20845   0.20846
 Alpha virt. eigenvalues --    0.20846   0.25174   0.25174   0.25174   0.27538
 Alpha virt. eigenvalues --    0.27538   0.27539   0.28499   0.30477   0.32871
 Alpha virt. eigenvalues --    0.32871   0.32872   0.34267   0.34267   0.34267
 Alpha virt. eigenvalues --    0.36008   0.36009   0.37399   0.37399   0.37399
 Alpha virt. eigenvalues --    0.37689   0.37689   0.37689   0.38801   0.39508
 Alpha virt. eigenvalues --    0.39508   0.41707   0.41707   0.41707   0.45455
 Alpha virt. eigenvalues --    0.46233   0.46233   0.46233   0.47686   0.47687
 Alpha virt. eigenvalues --    0.49794   0.49794   0.49795   0.51344   0.51345
 Alpha virt. eigenvalues --    0.51345   0.53425   0.54445   0.54445   0.54445
 Alpha virt. eigenvalues --    0.57510   0.57511   0.57511   0.62753   0.62753
 Alpha virt. eigenvalues --    0.62754   0.63231   0.64318   0.64318   0.64318
 Alpha virt. eigenvalues --    0.64646   0.64646   0.72281   0.72281   0.78407
 Alpha virt. eigenvalues --    0.78408   0.78408   0.80978   0.86896   0.86896
 Alpha virt. eigenvalues --    0.86896   0.94570   0.94570   0.94570   0.96074
 Alpha virt. eigenvalues --    0.99262   0.99263   0.99264   1.02852   1.02852
 Alpha virt. eigenvalues --    1.02852   1.05021   1.05022   1.20421   1.20421
 Alpha virt. eigenvalues --    1.20423   1.23220   1.31741   1.31741   1.31741
 Alpha virt. eigenvalues --    1.33827   1.34681   1.34681   1.34684   1.38582
 Alpha virt. eigenvalues --    1.38585   1.38586   1.48886   1.48889   1.58615
 Alpha virt. eigenvalues --    1.58618   1.58619   1.66209   1.66209   1.70067
 Alpha virt. eigenvalues --    1.79830   1.79832   1.83205   1.83205   1.83205
 Alpha virt. eigenvalues --    1.83690   1.83694   1.83695   1.89343   1.89347
 Alpha virt. eigenvalues --    1.89350   2.00546   2.00546   2.00547   2.03888
 Alpha virt. eigenvalues --    2.03888   2.03891   2.09796   2.09800   2.12844
 Alpha virt. eigenvalues --    2.12847   2.12847   2.14384   2.23603   2.23604
 Alpha virt. eigenvalues --    2.23605   2.33510   2.33511   2.39641   2.39642
 Alpha virt. eigenvalues --    2.39644   2.42607   2.55225   2.55226   2.55227
 Alpha virt. eigenvalues --    2.60082   2.60082   2.60084   2.68397   2.68398
 Alpha virt. eigenvalues --    2.70855   2.70857   2.70858   2.85720   3.01872
 Alpha virt. eigenvalues --    3.01874   3.01876   3.11994   3.11995   3.11998
 Alpha virt. eigenvalues --    3.13645   3.13646   3.13649   3.24682   3.24685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.083812  -0.210175  -0.210163  -0.210292  -0.209645   0.034333
     2  C   -0.210175   4.436226  -0.043791  -0.043792  -0.043794   0.114638
     3  C   -0.210163  -0.043791   4.436185  -0.043772  -0.043814   0.002316
     4  C   -0.210292  -0.043792  -0.043772   4.436302  -0.043817   0.002360
     5  C   -0.209645  -0.043794  -0.043814  -0.043817   4.435838   0.004462
     6  H    0.034333   0.114638   0.002316   0.002360   0.004462   0.986344
     7  H    0.035064   0.114506   0.002274   0.004415   0.002257  -0.090659
     8  H    0.034848   0.114505   0.004429   0.002257   0.002323  -0.090607
     9  H    0.034622   0.002294   0.114572   0.002342   0.004446   0.005077
    10  H    0.034650   0.004435   0.114562   0.002278   0.002332   0.002480
    11  H    0.034964   0.002303   0.114523   0.004426   0.002235  -0.012563
    12  H    0.035221   0.002260   0.002283   0.114420   0.004422   0.005033
    13  H    0.034588   0.002350   0.004441   0.114575   0.002262  -0.012576
    14  H    0.034466   0.004442   0.002346   0.114580   0.002296   0.002472
    15  H    0.034172   0.002338   0.002347   0.004463   0.114691   0.002481
    16  H    0.035084   0.004428   0.002248   0.002281   0.114515  -0.001493
    17  H    0.034762   0.002278   0.004441   0.002319   0.114577   0.002480
               7          8          9         10         11         12
     1  C    0.035064   0.034848   0.034622   0.034650   0.034964   0.035221
     2  C    0.114506   0.114505   0.002294   0.004435   0.002303   0.002260
     3  C    0.002274   0.004429   0.114572   0.114562   0.114523   0.002283
     4  C    0.004415   0.002257   0.002342   0.002278   0.004426   0.114420
     5  C    0.002257   0.002323   0.004446   0.002332   0.002235   0.004422
     6  H   -0.090659  -0.090607   0.005077   0.002480  -0.012563   0.005033
     7  H    0.985993  -0.090609  -0.012618   0.002463   0.005006   0.002466
     8  H   -0.090609   0.985975   0.002471  -0.001490   0.002465  -0.012606
     9  H   -0.012618   0.002471   0.986197  -0.090626  -0.090622   0.005009
    10  H    0.002463  -0.001490  -0.090626   0.986102  -0.090626  -0.012631
    11  H    0.005006   0.002465  -0.090622  -0.090626   0.986055   0.002461
    12  H    0.002466  -0.012606   0.005009  -0.012631   0.002461   0.985961
    13  H    0.002464   0.005048   0.002473   0.002477  -0.001491  -0.090642
    14  H   -0.001490   0.002479  -0.012546   0.005061   0.002475  -0.090612
    15  H    0.005045  -0.012581   0.002482  -0.012534   0.005054  -0.001492
    16  H    0.002469   0.002461   0.002469   0.005013  -0.012646   0.002466
    17  H   -0.012593   0.005015  -0.001492   0.002470   0.002470   0.002464
              13         14         15         16         17
     1  C    0.034588   0.034466   0.034172   0.035084   0.034762
     2  C    0.002350   0.004442   0.002338   0.004428   0.002278
     3  C    0.004441   0.002346   0.002347   0.002248   0.004441
     4  C    0.114575   0.114580   0.004463   0.002281   0.002319
     5  C    0.002262   0.002296   0.114691   0.114515   0.114577
     6  H   -0.012576   0.002472   0.002481  -0.001493   0.002480
     7  H    0.002464  -0.001490   0.005045   0.002469  -0.012593
     8  H    0.005048   0.002479  -0.012581   0.002461   0.005015
     9  H    0.002473  -0.012546   0.002482   0.002469  -0.001492
    10  H    0.002477   0.005061  -0.012534   0.005013   0.002470
    11  H   -0.001491   0.002475   0.005054  -0.012646   0.002470
    12  H   -0.090642  -0.090612  -0.001492   0.002466   0.002464
    13  H    0.986256  -0.090632   0.002484  -0.012585   0.005044
    14  H   -0.090632   0.986156   0.002478   0.005029  -0.012600
    15  H    0.002484   0.002478   0.986340  -0.090632  -0.090627
    16  H   -0.012585   0.005029  -0.090632   0.986090  -0.090624
    17  H    0.005044  -0.012600  -0.090627  -0.090624   0.986117
 Mulliken charges:
               1
     1  C   -6.660310
     2  C    1.534548
     3  C    1.534574
     4  C    1.534654
     5  C    1.534413
     6  H    0.043422
     7  H    0.043546
     8  H    0.043613
     9  H    0.043450
    10  H    0.043582
    11  H    0.043511
    12  H    0.043517
    13  H    0.043465
    14  H    0.043599
    15  H    0.043490
    16  H    0.043426
    17  H    0.043499
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -6.660310
     2  C    1.665130
     3  C    1.665117
     4  C    1.665235
     5  C    1.664829
 Electronic spatial extent (au):  <R**2>=            485.2095
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.0080   YY=            -36.0079   ZZ=            -36.0079
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3828  YYY=             -1.0691  ZZZ=             -0.8643  XYY=              1.7213
  XXY=              0.0184  XXZ=              1.3781  XZZ=             -1.3385  YZZ=              1.0504
  YYZ=             -0.5138  XYZ=              1.8449
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -235.6759 YYYY=           -235.0172 ZZZZ=           -235.2135 XXXY=              0.7120
 XXXZ=             -0.6496 YYYX=             -0.7649 YYYZ=              0.8841 ZZZX=              0.3474
 ZZZY=             -1.0879 XXYY=            -77.6970 XXZZ=            -77.4941 YYZZ=            -78.1366
 XXYZ=              0.2034 YYXZ=              0.3025 ZZXY=              0.0528
 N-N= 1.985720799793D+02 E-N=-8.522127690589D+02  KE= 1.950982081673D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290707D-06-2.40208719D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950015D-04 6.33541331D+01
                 3.32805357D-04-2.65587197D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0006   -0.0002       -0.0007    0.0000
 2      0.0006    0.0002        0.0000    0.0001       -0.0026   -0.0003
 3      0.0007   -0.0000        0.0027    0.0001       -0.0004   -0.0001
 4     -0.0000   -0.0001       -0.0000    0.0000        0.0009   -0.0000
 5     -0.0001    0.0002       -0.0009    0.0000       -0.0003   -0.0002
 6      0.0004    0.0001        0.0003    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0005    0.0005        0.0001    0.0001
 2     -0.0004   -0.0004       -0.0000    0.0000        0.0001    0.0001
 3     -0.0004   -0.0004        0.0005    0.0005        0.0000    0.0000
 4      0.0005    0.0005        0.0004    0.0004       -0.0009   -0.0009
 5     -0.0001   -0.0001        0.0003    0.0003       -0.0004   -0.0004
 6      0.0006    0.0006        0.0001    0.0001       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0357    0.0000        0.0173    0.0007       -0.0284   -0.0001
 2      0.0367   -0.0007        0.0320   -0.0005       -0.0060    0.0012
 3      0.0429    0.0001        0.0137   -0.0004        0.0009    0.0005
 4     -0.0203    0.0005        0.0017    0.0000       -0.0233    0.0001
 5     -0.0132   -0.0008       -0.0184   -0.0001       -0.0347    0.0007
 6      0.0004   -0.0005       -0.0015   -0.0007       -0.0027    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0025    0.0000       -0.0022   -0.0011       -0.0154    0.0003
 2     -0.0449    0.0011        0.0119    0.0007       -0.0174   -0.0016
 3      0.0020   -0.0003       -0.0265    0.0016        0.0125   -0.0007
 4      0.0099   -0.0007        0.0059    0.0000        0.0011   -0.0003
 5      0.0541   -0.0001       -0.0298    0.0003        0.0089   -0.0011
 6     -0.0006    0.0007        0.0022    0.0011        0.0286    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2404    3.2525        1.0693    1.1004        2.0585    2.0063
 2      3.2529    3.2507        1.0623    1.1014        2.0312    2.0063
 3      3.2491    3.2507        1.0635    1.1004        2.0471    2.0067
 4     -0.0785   -0.0010        0.0295    0.0018        0.0029    0.0009
 5      0.0267    0.0004       -0.0320    0.0007       -0.0283   -0.0018
 6      0.0686   -0.0017       -0.0322   -0.0004        0.0130    0.0010
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9984   -4.9745   -2.2922   -0.0001    0.0002    0.0006
 Low frequencies ---  161.2272  207.7019  230.5680
 Diagonal vibrational polarizability:
        0.7232560       0.7231579       0.7231785
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.2261               207.7017               230.5678
 Red. masses --      1.7068                 1.8046                 1.4312
 Frc consts  --      0.0261                 0.0459                 0.0448
 IR Inten    --      0.0000                 0.0002                 0.0001
 RamAct Fr= 1--      0.0007                 0.0034                 0.0059
  Dep-P Fr= 1--      0.7464                 0.7478                 0.7497
  Dep-U Fr= 1--      0.8548                 0.8557                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0005                 0.0008
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0001                 0.0005                -0.0017
 Delta2 Fr= 1--     -0.0001                -0.0011                 0.0025
 Raman1 Fr= 1--       0.003                  0.014                  0.024
 ROA1   Fr= 1--       0.006                  0.008                 -0.084
 CID1   Fr= 1--       2.147                  0.573                 -3.538
 Raman2 Fr= 1--       0.001                  0.006                  0.010
 ROA2   Fr= 1--       0.004                  0.020                 -0.060
 CID2   Fr= 1--       3.157                  3.427                 -5.977
 Raman3 Fr= 1--       0.002                  0.012                  0.020
 ROA3   Fr= 1--       0.006                  0.008                 -0.084
 CID3   Fr= 1--       2.512                  0.670                 -4.129
 RC180  Fr= 1--       0.710                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.01   0.01
     2   6    -0.01   0.01  -0.01    -0.02   0.04  -0.01     0.00  -0.02   0.00
     3   6    -0.01   0.00   0.01     0.02  -0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.00   0.01    -0.01  -0.03   0.04     0.04   0.01   0.00
     5   6     0.01   0.00  -0.01     0.02  -0.02  -0.02    -0.01  -0.03   0.00
     6   1     0.00   0.21   0.10    -0.07  -0.10  -0.07    -0.05  -0.45  -0.21
     7   1    -0.15  -0.01  -0.19     0.11   0.08   0.09     0.30   0.03   0.38
     8   1     0.11  -0.17   0.07    -0.11   0.19  -0.07    -0.24   0.38  -0.18
     9   1     0.27  -0.15  -0.20     0.29  -0.14  -0.20     0.03   0.01  -0.01
    10   1    -0.20   0.31  -0.12    -0.17   0.26  -0.15    -0.05   0.09   0.00
    11   1    -0.11  -0.15   0.35    -0.06  -0.14   0.29    -0.07  -0.02   0.06
    12   1    -0.18  -0.10   0.04     0.04   0.03   0.05     0.17   0.09  -0.01
    13   1     0.04   0.08  -0.16    -0.03  -0.06   0.12     0.02  -0.06   0.12
    14   1     0.12   0.01   0.17    -0.04  -0.07  -0.01    -0.05   0.03  -0.10
    15   1     0.27   0.16  -0.05    -0.33  -0.23   0.00     0.19   0.10  -0.04
    16   1    -0.01  -0.28  -0.13     0.08   0.33   0.17    -0.04  -0.25  -0.11
    17   1    -0.21   0.12   0.15     0.33  -0.19  -0.23    -0.18   0.05   0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9654               300.1110               303.5875
 Red. masses --      1.0722                 2.6147                 2.4757
 Frc consts  --      0.0444                 0.1387                 0.1344
 IR Inten    --      0.0000                 0.0016                 0.0010
 RamAct Fr= 1--      0.0070                 0.9061                 0.9348
  Dep-P Fr= 1--      0.7447                 0.7494                 0.7500
  Dep-U Fr= 1--      0.8537                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0010                 0.1294                 0.1335
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0014                -0.0069                 0.0129
 Delta2 Fr= 1--     -0.0032                -0.0006                 0.0058
 Raman1 Fr= 1--       0.028                  3.624                  3.739
 ROA1   Fr= 1--       0.028                 -0.682                  1.425
 CID1   Fr= 1--       1.003                 -0.188                  0.381
 Raman2 Fr= 1--       0.012                  1.553                  1.602
 ROA2   Fr= 1--       0.058                 -0.161                  0.263
 CID2   Fr= 1--       4.836                 -0.103                  0.164
 Raman3 Fr= 1--       0.024                  3.105                  3.205
 ROA3   Fr= 1--       0.028                 -0.682                  1.425
 CID3   Fr= 1--       1.175                 -0.220                  0.445
 RC180  Fr= 1--       0.707                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01   0.03  -0.03    -0.00  -0.02  -0.00
     2   6    -0.01  -0.00  -0.01     0.04   0.14   0.06     0.10  -0.04   0.12
     3   6    -0.01  -0.01   0.02    -0.01  -0.07   0.14    -0.11   0.08   0.01
     4   6    -0.01  -0.00  -0.01     0.04   0.08  -0.12    -0.13  -0.07  -0.10
     5   6     0.02   0.02  -0.01    -0.05  -0.12  -0.09     0.14   0.01  -0.05
     6   1     0.00   0.13   0.05     0.09   0.26   0.10     0.27  -0.07   0.04
     7   1    -0.11  -0.02  -0.13     0.12   0.22  -0.03     0.18  -0.04   0.26
     8   1     0.08  -0.12   0.04    -0.04   0.12   0.22     0.01  -0.02   0.24
     9   1     0.01  -0.04  -0.01    -0.18  -0.25   0.12    -0.11   0.20   0.07
    10   1    -0.02   0.04   0.02     0.10  -0.01   0.31    -0.11   0.20   0.05
    11   1    -0.02  -0.03   0.07    -0.00  -0.10   0.25    -0.30   0.01  -0.07
    12   1     0.45   0.27  -0.06     0.10   0.00  -0.19    -0.18  -0.21  -0.16
    13   1    -0.16  -0.21   0.48     0.07   0.10  -0.19    -0.25   0.08  -0.14
    14   1    -0.35  -0.07  -0.44     0.01   0.20  -0.13    -0.13  -0.13  -0.11
    15   1     0.07   0.05  -0.02    -0.17  -0.15  -0.24     0.13   0.02  -0.13
    16   1     0.04  -0.03  -0.01    -0.08  -0.15  -0.14     0.29   0.00   0.12
    17   1    -0.01   0.05  -0.01     0.03  -0.29   0.01     0.23   0.03  -0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    373.6599               381.4069               391.3484
 Red. masses --      2.5172                 2.3586                 2.2899
 Frc consts  --      0.2071                 0.2022                 0.2066
 IR Inten    --      0.0371                 0.0497                 0.0506
 RamAct Fr= 1--      0.1429                 0.2632                 0.2519
  Dep-P Fr= 1--      0.7472                 0.7205                 0.7500
  Dep-U Fr= 1--      0.8553                 0.8376                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0204                 0.0367                 0.0360
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0033                -0.0086                 0.0015
 Delta2 Fr= 1--      0.0102                -0.0152                -0.0026
 Raman1 Fr= 1--       0.572                  1.053                  1.008
 ROA1   Fr= 1--       0.012                 -1.314                  0.063
 CID1   Fr= 1--       0.021                 -1.248                  0.062
 Raman2 Fr= 1--       0.244                  0.441                  0.432
 ROA2   Fr= 1--      -0.160                 -0.086                  0.057
 CID2   Fr= 1--      -0.655                 -0.195                  0.132
 Raman3 Fr= 1--       0.489                  0.882                  0.864
 ROA3   Fr= 1--       0.012                 -1.314                  0.063
 CID3   Fr= 1--       0.025                 -1.490                  0.072
 RC180  Fr= 1--       0.711                  0.675                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07   0.07    -0.05  -0.13   0.01    -0.06   0.02  -0.13
     2   6    -0.08  -0.10   0.10    -0.09   0.09   0.06     0.09  -0.02   0.05
     3   6     0.04  -0.03  -0.03    -0.08  -0.07  -0.08    -0.07  -0.09  -0.03
     4   6    -0.02   0.17  -0.00     0.15  -0.00  -0.07     0.04  -0.00   0.13
     5   6     0.06  -0.03  -0.06     0.05   0.02   0.06    -0.04   0.12  -0.12
     6   1     0.02  -0.20   0.00    -0.14   0.25   0.17     0.35  -0.05  -0.07
     7   1    -0.16  -0.20   0.26     0.06   0.24  -0.12     0.16  -0.05   0.24
     8   1    -0.04  -0.12   0.05    -0.22   0.11   0.24    -0.02  -0.03   0.23
     9   1     0.13  -0.10  -0.11    -0.00   0.04  -0.06    -0.19  -0.26  -0.07
    10   1    -0.02  -0.24  -0.20    -0.14  -0.09  -0.16     0.01  -0.08   0.07
    11   1     0.31   0.09   0.02    -0.13  -0.07  -0.16    -0.01  -0.09   0.07
    12   1     0.05   0.14  -0.05     0.29   0.02  -0.11    -0.06   0.24   0.32
    13   1     0.07   0.13  -0.07     0.34  -0.12  -0.15     0.18  -0.18   0.19
    14   1    -0.05   0.34   0.02     0.11   0.28  -0.04     0.15  -0.09   0.24
    15   1     0.02   0.03  -0.35     0.16   0.05   0.19     0.03   0.14  -0.03
    16   1     0.26  -0.16   0.13     0.13   0.06   0.17    -0.01   0.16  -0.08
    17   1     0.20  -0.10  -0.16     0.01   0.19  -0.09    -0.07   0.22  -0.19
                     10                     11                     12
                      A                      A                      A
 Frequencies --    680.7111               758.8116               770.5666
 Red. masses --      3.3186                 2.5713                 2.3460
 Frc consts  --      0.9060                 0.8723                 0.8207
 IR Inten    --      0.0231                 0.3379                 0.0197
 RamAct Fr= 1--     14.0002                 1.9480                 1.5912
  Dep-P Fr= 1--      0.0026                 0.5569                 0.1575
  Dep-U Fr= 1--      0.0052                 0.7154                 0.2721
 Alpha2 Fr= 1--      0.3092                 0.0072                 0.0241
 Beta2  Fr= 1--      0.0121                 0.2323                 0.0722
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0001
 Gamma2 Fr= 1--      0.0374                -0.1259                 0.1542
 Delta2 Fr= 1--      0.0401                -0.1511                 0.1883
 Raman1 Fr= 1--      56.001                  7.792                  6.365
 ROA1   Fr= 1--       4.874                -16.919                 20.834
 CID1   Fr= 1--       0.087                 -2.171                  3.273
 Raman2 Fr= 1--       0.145                  2.787                  0.866
 ROA2   Fr= 1--       0.577                 -1.812                  2.195
 CID2   Fr= 1--       3.969                 -0.650                  2.535
 Raman3 Fr= 1--       0.291                  5.574                  1.732
 ROA3   Fr= 1--       4.874                -16.919                 20.834
 CID3   Fr= 1--      16.775                 -3.035                 12.030
 RC180  Fr= 1--      -0.990                  0.431                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04   0.01    -0.03   0.01  -0.07     0.02   0.00  -0.02
     2   6     0.17   0.08  -0.08    -0.06  -0.03   0.01    -0.00  -0.02  -0.08
     3   6    -0.12  -0.09  -0.11     0.01   0.18  -0.09    -0.08   0.00   0.08
     4   6    -0.09   0.16   0.05     0.02  -0.03  -0.02    -0.04   0.09   0.03
     5   6     0.03  -0.10   0.15     0.00  -0.11   0.02     0.13  -0.06  -0.04
     6   1     0.12   0.01  -0.10    -0.02  -0.02   0.00     0.22   0.05  -0.12
     7   1     0.09   0.03  -0.09    -0.05  -0.03   0.04     0.13   0.01   0.04
     8   1     0.33   0.08  -0.31    -0.13  -0.03   0.10    -0.20  -0.06   0.27
     9   1    -0.27  -0.28  -0.15    -0.29  -0.31  -0.21     0.12   0.05   0.01
    10   1    -0.10  -0.13  -0.08     0.27   0.15   0.22    -0.23  -0.24  -0.20
    11   1    -0.17  -0.14  -0.07     0.32   0.23   0.28     0.15   0.13   0.04
    12   1    -0.09   0.15   0.04    -0.01  -0.08  -0.04    -0.04  -0.02  -0.03
    13   1    -0.10   0.19   0.04    -0.04   0.02  -0.02    -0.16   0.20   0.03
    14   1    -0.09   0.17   0.05     0.01  -0.08  -0.04    -0.09   0.04  -0.04
    15   1     0.08  -0.09   0.20     0.21  -0.10   0.37     0.10  -0.21   0.40
    16   1     0.16  -0.16   0.29     0.12  -0.00   0.20    -0.21   0.17  -0.37
    17   1     0.06  -0.09   0.12    -0.07   0.11  -0.14    -0.03  -0.04   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    788.8479               831.3369               871.6403
 Red. masses --      2.7364                 2.3706                 2.2631
 Frc consts  --      1.0033                 0.9653                 1.0130
 IR Inten    --      0.2750                 0.2373                 0.5057
 RamAct Fr= 1--      2.6008                 3.4781                 3.0267
  Dep-P Fr= 1--      0.7356                 0.4817                 0.7014
  Dep-U Fr= 1--      0.8476                 0.6502                 0.8245
 Alpha2 Fr= 1--      0.0006                 0.0187                 0.0026
 Beta2  Fr= 1--      0.3674                 0.3769                 0.4159
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--      0.0453                -0.3327                 0.0952
 Delta2 Fr= 1--      0.0734                -0.4005                 0.0676
 Raman1 Fr= 1--      10.403                 13.912                 12.107
 ROA1   Fr= 1--       6.703                -44.758                 11.300
 CID1   Fr= 1--       0.644                 -3.217                  0.933
 Raman2 Fr= 1--       4.409                  4.523                  4.991
 ROA2   Fr= 1--       0.501                 -4.781                  1.743
 CID2   Fr= 1--       0.114                 -1.057                  0.349
 Raman3 Fr= 1--       8.818                  9.046                  9.982
 ROA3   Fr= 1--       6.703                -44.758                 11.300
 CID3   Fr= 1--       0.760                 -4.948                  1.132
 RC180  Fr= 1--       0.695                  0.300                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.03     0.04   0.04   0.09     0.09   0.08  -0.01
     2   6     0.11   0.03  -0.07    -0.03   0.06   0.17    -0.07  -0.06  -0.01
     3   6    -0.15   0.08   0.10    -0.08   0.01  -0.05    -0.03   0.01  -0.09
     4   6     0.08  -0.14  -0.04     0.06  -0.08   0.01     0.06  -0.00  -0.03
     5   6    -0.08   0.04   0.04     0.07   0.03  -0.08     0.10   0.08   0.15
     6   1     0.09   0.09  -0.03    -0.19  -0.15   0.12    -0.06   0.03   0.04
     7   1     0.18   0.09  -0.15    -0.29  -0.10   0.18     0.01  -0.00  -0.01
     8   1     0.06   0.07  -0.05     0.34   0.03  -0.35    -0.25  -0.04   0.23
     9   1     0.05  -0.04  -0.05    -0.19  -0.21  -0.12    -0.22  -0.25  -0.14
    10   1    -0.29  -0.35  -0.24    -0.08  -0.12  -0.08     0.02  -0.01  -0.03
    11   1     0.37   0.32   0.20     0.00   0.02   0.04    -0.09  -0.04  -0.05
    12   1     0.02  -0.18  -0.04     0.17  -0.32  -0.17    -0.12   0.00   0.06
    13   1    -0.02  -0.07   0.00    -0.03   0.08  -0.09    -0.15   0.10   0.12
    14   1     0.08  -0.26  -0.07    -0.05   0.04  -0.08     0.12  -0.36  -0.06
    15   1    -0.08   0.12  -0.24     0.02  -0.03   0.05    -0.22   0.02  -0.27
    16   1     0.11  -0.12   0.20    -0.18   0.20  -0.33    -0.09  -0.11  -0.13
    17   1     0.02   0.00  -0.04    -0.01   0.03   0.02     0.19  -0.25   0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    928.5732               991.2551              1007.8921
 Red. masses --      1.6558                 1.6846                 1.7481
 Frc consts  --      0.8412                 0.9753                 1.0463
 IR Inten    --      0.2735                 0.0349                 0.0999
 RamAct Fr= 1--      3.0703                 2.7572                 1.6078
  Dep-P Fr= 1--      0.7493                 0.6718                 0.5972
  Dep-U Fr= 1--      0.8567                 0.8037                 0.7478
 Alpha2 Fr= 1--      0.0000                 0.0038                 0.0046
 Beta2  Fr= 1--      0.4384                 0.3693                 0.2004
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.2573                 0.0885                -0.2057
 Delta2 Fr= 1--      0.2454                 0.1469                -0.0746
 Raman1 Fr= 1--      12.281                 11.029                  6.431
 ROA1   Fr= 1--      32.551                 13.195                -22.132
 CID1   Fr= 1--       2.650                  1.196                 -3.441
 Raman2 Fr= 1--       5.261                  4.432                  2.405
 ROA2   Fr= 1--       4.211                  0.949                 -4.339
 CID2   Fr= 1--       0.800                  0.214                 -1.804
 Raman3 Fr= 1--      10.521                  8.864                  4.810
 ROA3   Fr= 1--      32.551                 13.195                -22.132
 CID3   Fr= 1--       3.094                  1.489                 -4.602
 RC180  Fr= 1--       0.713                  0.607                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.06  -0.04    -0.02  -0.05   0.09     0.05   0.09   0.01
     2   6    -0.05   0.11  -0.05     0.04  -0.01  -0.11    -0.07   0.07  -0.05
     3   6     0.01  -0.00   0.01     0.02   0.03  -0.05     0.03  -0.04   0.02
     4   6    -0.02  -0.10  -0.04    -0.03  -0.04   0.13     0.11   0.00   0.04
     5   6     0.07   0.00   0.08    -0.00   0.04   0.01    -0.09  -0.04  -0.04
     6   1     0.40  -0.09  -0.33     0.15   0.04  -0.12     0.23  -0.08  -0.24
     7   1    -0.21  -0.14   0.42     0.15   0.03  -0.04    -0.17  -0.11   0.33
     8   1     0.14  -0.13   0.02    -0.10  -0.04   0.14    -0.01  -0.13   0.13
     9   1     0.03   0.06   0.04    -0.10  -0.08  -0.06     0.03  -0.02   0.03
    10   1    -0.00   0.06   0.01     0.10   0.07   0.06    -0.03  -0.07  -0.07
    11   1     0.03   0.02  -0.00    -0.01  -0.01   0.03    -0.18  -0.12  -0.10
    12   1     0.10   0.10   0.02     0.34  -0.41  -0.26     0.03  -0.36  -0.13
    13   1     0.30  -0.36  -0.12     0.02   0.13  -0.19    -0.29   0.37   0.06
    14   1     0.03   0.17   0.08    -0.28   0.53  -0.01    -0.00  -0.27  -0.18
    15   1    -0.08  -0.08   0.06    -0.05   0.07  -0.18     0.10   0.04   0.06
    16   1    -0.01  -0.10  -0.04    -0.07   0.06  -0.06     0.11   0.01   0.21
    17   1     0.07  -0.12   0.22    -0.00   0.04   0.01    -0.09   0.04  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1077.6237              1078.2884              1084.4419
 Red. masses --      2.1829                 2.1837                 2.2987
 Frc consts  --      1.4935                 1.4959                 1.5928
 IR Inten    --      3.1608                 3.4030                 3.0130
 RamAct Fr= 1--      1.3952                 1.3999                 1.9830
  Dep-P Fr= 1--      0.7492                 0.7334                 0.7317
  Dep-U Fr= 1--      0.8566                 0.8462                 0.8451
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0006
 Beta2  Fr= 1--      0.1992                 0.1974                 0.2793
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1753                 0.0837                 0.1676
 Delta2 Fr= 1--     -0.0956                 0.0900                -0.1145
 Raman1 Fr= 1--       5.581                  5.600                  7.932
 ROA1   Fr= 1--     -19.887                 10.911                 12.428
 CID1   Fr= 1--      -3.563                  1.949                  1.567
 Raman2 Fr= 1--       2.390                  2.369                  3.351
 ROA2   Fr= 1--      -3.442                  1.287                  4.940
 CID2   Fr= 1--      -1.440                  0.543                  1.474
 Raman3 Fr= 1--       4.781                  4.738                  6.703
 ROA3   Fr= 1--     -19.887                 10.911                 12.428
 CID3   Fr= 1--      -4.160                  2.303                  1.854
 RC180  Fr= 1--       0.713                  0.692                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.00   0.01   0.00     0.02   0.01   0.01
     2   6    -0.00  -0.00  -0.01     0.01  -0.01   0.00    -0.01   0.01  -0.02
     3   6     0.08   0.03  -0.09     0.08  -0.10   0.03     0.04   0.04   0.08
     4   6    -0.01  -0.00  -0.02     0.01  -0.00   0.01    -0.04  -0.01  -0.04
     5   6    -0.00  -0.04   0.02    -0.01   0.02  -0.02    -0.02  -0.15   0.07
     6   1     0.00  -0.01  -0.02    -0.04  -0.00   0.02     0.02  -0.01  -0.03
     7   1    -0.01  -0.01  -0.01     0.02   0.01  -0.03    -0.00  -0.01   0.02
     8   1    -0.02  -0.01   0.03    -0.01   0.01   0.01    -0.02  -0.02   0.03
     9   1    -0.39   0.35   0.28    -0.44  -0.07   0.27    -0.04  -0.27  -0.05
    10   1    -0.01  -0.23  -0.30    -0.37   0.54  -0.30    -0.10   0.05  -0.10
    11   1    -0.08  -0.26   0.59     0.34   0.11  -0.17    -0.08   0.08  -0.25
    12   1    -0.03   0.08   0.04     0.03  -0.06  -0.03    -0.05   0.19   0.08
    13   1     0.03  -0.06   0.00    -0.03   0.05   0.00     0.13  -0.20  -0.00
    14   1     0.03  -0.03   0.02    -0.01   0.00  -0.01     0.05   0.04   0.07
    15   1     0.12   0.05  -0.08    -0.05  -0.03   0.07     0.40   0.21  -0.36
    16   1    -0.06   0.14   0.01     0.04  -0.08  -0.00    -0.22   0.54   0.06
    17   1     0.01  -0.03  -0.00     0.00   0.02  -0.03    -0.03  -0.04  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1097.2148              1200.8017              1224.5514
 Red. masses --      2.5772                 2.6986                 2.9549
 Frc consts  --      1.8280                 2.2926                 2.6107
 IR Inten    --      2.9520                 3.7959                 3.3708
 RamAct Fr= 1--      1.7802                 7.4614                 8.7280
  Dep-P Fr= 1--      0.0899                 0.7477                 0.7492
  Dep-U Fr= 1--      0.1650                 0.8557                 0.8566
 Alpha2 Fr= 1--      0.0319                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0490                 1.0641                 1.2461
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0000
 Gamma2 Fr= 1--     -0.0084                -0.9760                 0.5253
 Delta2 Fr= 1--      0.0665                -0.6322                 0.2806
 Raman1 Fr= 1--       7.121                 29.846                 34.912
 ROA1   Fr= 1--       1.323               -113.922                 59.410
 CID1   Fr= 1--       0.186                 -3.817                  1.702
 Raman2 Fr= 1--       0.588                 12.769                 14.953
 ROA2   Fr= 1--      -0.733                -18.366                 10.363
 CID2   Fr= 1--      -1.247                 -1.438                  0.693
 Raman3 Fr= 1--       1.175                 25.537                 29.906
 ROA3   Fr= 1--       1.323               -113.922                 59.410
 CID3   Fr= 1--       1.126                 -4.461                  1.987
 RC180  Fr= 1--      -0.670                  0.711                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04  -0.02    -0.02   0.29   0.00     0.33  -0.03  -0.08
     2   6    -0.02   0.03   0.01     0.08  -0.11   0.01    -0.05   0.05   0.01
     3   6    -0.14  -0.16  -0.11    -0.05  -0.09  -0.03    -0.10  -0.02  -0.01
     4   6     0.05   0.04   0.01    -0.01  -0.10   0.02    -0.12  -0.01   0.03
     5   6     0.02  -0.05   0.07    -0.02  -0.03  -0.06    -0.09   0.03  -0.04
     6   1     0.11  -0.02  -0.08    -0.07   0.23   0.23    -0.36  -0.29  -0.03
     7   1     0.01   0.02   0.07    -0.20  -0.15  -0.27    -0.10  -0.06   0.23
     8   1     0.08  -0.03  -0.04    -0.25   0.24   0.01     0.02  -0.17   0.19
     9   1     0.15   0.38   0.03     0.09   0.13   0.01    -0.01   0.05  -0.02
    10   1     0.08   0.27   0.33     0.00   0.02   0.08    -0.10  -0.06  -0.02
    11   1     0.43   0.07   0.14     0.00  -0.07  -0.03     0.15   0.07   0.08
    12   1    -0.08  -0.08   0.00     0.21  -0.12  -0.10     0.17   0.20   0.01
    13   1    -0.20   0.24   0.08     0.17  -0.16  -0.15     0.16  -0.13  -0.16
    14   1     0.01  -0.15  -0.09    -0.04   0.14   0.03    -0.09   0.39   0.17
    15   1     0.15   0.11  -0.24     0.18   0.02   0.17     0.04   0.09   0.01
    16   1    -0.14   0.25  -0.00     0.08   0.10   0.12     0.13  -0.04   0.18
    17   1     0.02  -0.05   0.07     0.03  -0.34   0.30     0.04  -0.21   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1250.0429              1311.4197              1322.7713
 Red. masses --      3.7140                 1.2904                 1.3004
 Frc consts  --      3.4193                 1.3076                 1.3405
 IR Inten    --      6.0253                 4.2131                 6.3855
 RamAct Fr= 1--      9.9492                 1.8510                 2.6732
  Dep-P Fr= 1--      0.7486                 0.5901                 0.7427
  Dep-U Fr= 1--      0.8563                 0.7423                 0.8523
 Alpha2 Fr= 1--      0.0002                 0.0055                 0.0003
 Beta2  Fr= 1--      1.4198                 0.2290                 0.3797
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0001
 Gamma2 Fr= 1--      0.8781                -0.0591                -0.9568
 Delta2 Fr= 1--      0.3512                 0.2819                -0.6457
 Raman1 Fr= 1--      39.797                  7.404                 10.693
 ROA1   Fr= 1--      95.535                  3.346               -112.518
 CID1   Fr= 1--       2.401                  0.452                -10.523
 Raman2 Fr= 1--      17.038                  2.748                  4.557
 ROA2   Fr= 1--      18.264                 -3.675                -17.798
 CID2   Fr= 1--       1.072                 -1.337                 -3.906
 Raman3 Fr= 1--      34.076                  5.496                  9.114
 ROA3   Fr= 1--      95.535                  3.346               -112.518
 CID3   Fr= 1--       2.804                  0.609                -12.346
 RC180  Fr= 1--       0.713                  0.485                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.40    -0.03  -0.01  -0.02     0.06  -0.00   0.04
     2   6     0.04   0.04  -0.13    -0.09  -0.03   0.03    -0.05  -0.03   0.01
     3   6    -0.05  -0.04  -0.09     0.02   0.01   0.00    -0.01  -0.00  -0.01
     4   6    -0.01  -0.00  -0.14     0.00   0.01   0.02    -0.02   0.00  -0.01
     5   6    -0.03   0.02  -0.14    -0.02   0.03  -0.06    -0.06   0.03   0.03
     6   1    -0.18  -0.15  -0.13     0.13   0.04  -0.02     0.42   0.27  -0.02
     7   1     0.23   0.06   0.14     0.59   0.37  -0.03     0.03   0.02   0.01
     8   1     0.01  -0.18   0.23     0.15  -0.17  -0.13    -0.04   0.07  -0.13
     9   1    -0.05  -0.03  -0.09    -0.01  -0.02   0.00    -0.01  -0.01  -0.01
    10   1     0.07   0.11   0.13     0.01  -0.00  -0.02    -0.00   0.00   0.01
    11   1     0.05  -0.02  -0.02    -0.03  -0.00  -0.00     0.01   0.00   0.00
    12   1    -0.18   0.31   0.15     0.02  -0.08  -0.05     0.01   0.02  -0.01
    13   1     0.08  -0.32   0.19     0.05  -0.02  -0.03     0.02  -0.06   0.03
    14   1     0.27  -0.22   0.16    -0.02  -0.06  -0.04     0.04   0.01   0.05
    15   1     0.01  -0.03   0.16     0.08   0.05   0.06     0.15   0.12   0.12
    16   1     0.06   0.03  -0.04     0.09   0.08   0.09    -0.13  -0.15  -0.12
    17   1    -0.10   0.01  -0.01     0.02  -0.39   0.44     0.56  -0.24  -0.48
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1330.0206              1342.3798              1411.9821
 Red. masses --      1.4158                 1.4908                 1.2330
 Frc consts  --      1.4756                 1.5828                 1.4483
 IR Inten    --      3.9915                 1.6349                 5.1830
 RamAct Fr= 1--      3.9535                 3.1733                 0.1672
  Dep-P Fr= 1--      0.7489                 0.7319                 0.5763
  Dep-U Fr= 1--      0.8564                 0.8452                 0.7312
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0005
 Beta2  Fr= 1--      0.5643                 0.4470                 0.0204
 AlphaG Fr= 1--      0.0000                 0.0002                -0.0000
 Gamma2 Fr= 1--      0.0989                 0.3588                 0.0334
 Delta2 Fr= 1--     -0.0350                 0.3213                 0.0254
 Raman1 Fr= 1--      15.814                 12.693                  0.669
 ROA1   Fr= 1--       8.380                 44.724                  4.018
 CID1   Fr= 1--       0.530                  3.523                  6.008
 Raman2 Fr= 1--       6.772                  5.364                  0.245
 ROA2   Fr= 1--       2.654                  6.040                  0.599
 CID2   Fr= 1--       0.392                  1.126                  2.448
 Raman3 Fr= 1--      13.544                 10.728                  0.489
 ROA3   Fr= 1--       8.380                 44.724                  4.018
 CID3   Fr= 1--       0.619                  4.169                  8.217
 RC180  Fr= 1--       0.713                  0.690                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.03   0.04    -0.00   0.15  -0.03    -0.01   0.01   0.00
     2   6    -0.08  -0.05   0.02    -0.03  -0.01  -0.00    -0.01  -0.01  -0.00
     3   6    -0.02  -0.01  -0.01    -0.01  -0.03  -0.00     0.01   0.00   0.00
     4   6    -0.03  -0.01  -0.01    -0.01  -0.03   0.02     0.07  -0.12  -0.03
     5   6     0.03  -0.04  -0.01     0.02  -0.05   0.07    -0.00   0.00  -0.01
     6   1     0.52   0.36  -0.00    -0.34  -0.18   0.04    -0.01   0.06   0.04
     7   1     0.12   0.07   0.01     0.50   0.29  -0.01     0.09   0.03   0.05
     8   1    -0.05   0.06  -0.18     0.12  -0.21   0.07     0.01  -0.02  -0.03
     9   1    -0.01   0.01  -0.00     0.04   0.05   0.01    -0.00  -0.01   0.00
    10   1    -0.02  -0.00  -0.00    -0.01  -0.02   0.02     0.00  -0.00  -0.01
    11   1     0.03  -0.00   0.01    -0.02  -0.03  -0.01    -0.02  -0.00  -0.01
    12   1     0.06   0.09   0.01     0.11  -0.02  -0.04    -0.20   0.39   0.36
    13   1     0.04  -0.06  -0.03     0.07  -0.02  -0.11    -0.43   0.35   0.04
    14   1     0.04   0.04   0.08    -0.02   0.00  -0.00    -0.10   0.56  -0.01
    15   1    -0.17  -0.11  -0.11    -0.03  -0.05  -0.01     0.01   0.00   0.02
    16   1     0.08   0.03   0.08    -0.11  -0.09  -0.09     0.01  -0.00   0.00
    17   1    -0.46   0.47   0.01     0.07   0.33  -0.48     0.02  -0.04   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.3166              1498.3600              1501.1275
 Red. masses --      1.0750                 1.0532                 1.0593
 Frc consts  --      1.3748                 1.3931                 1.4063
 IR Inten    --      2.9394                 4.9214                 6.9075
 RamAct Fr= 1--      4.6536                 4.1877                 2.4726
  Dep-P Fr= 1--      0.7491                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6643                 0.5982                 0.3530
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0071                 0.0473                 0.0054
 Delta2 Fr= 1--      0.0140                -0.0016                -0.0345
 Raman1 Fr= 1--      18.615                 16.751                  9.891
 ROA1   Fr= 1--      -0.229                  4.486                 -0.580
 CID1   Fr= 1--      -0.012                  0.268                 -0.059
 Raman2 Fr= 1--       7.972                  7.179                  4.236
 ROA2   Fr= 1--      -0.282                  1.147                  0.407
 CID2   Fr= 1--      -0.035                  0.160                  0.096
 Raman3 Fr= 1--      15.944                 14.357                  8.473
 ROA3   Fr= 1--      -0.229                  4.486                 -0.580
 CID3   Fr= 1--      -0.014                  0.312                 -0.068
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.01   0.02  -0.03    -0.03  -0.02  -0.02
     2   6     0.01  -0.02  -0.06    -0.00  -0.00   0.01     0.01  -0.00  -0.02
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.02   0.01     0.02   0.02  -0.04    -0.04  -0.01  -0.02
     5   6     0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.00
     6   1    -0.27   0.49   0.34    -0.02  -0.02   0.01    -0.12   0.16   0.12
     7   1     0.13  -0.16   0.63     0.03   0.02  -0.01     0.05  -0.05   0.22
     8   1     0.02  -0.01  -0.06     0.01  -0.01   0.00     0.02  -0.01  -0.03
     9   1    -0.00   0.00   0.00     0.00   0.01   0.00     0.01  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.00  -0.00
    11   1     0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01  -0.00  -0.00
    12   1    -0.19  -0.08   0.04    -0.25  -0.43  -0.16     0.54   0.11  -0.20
    13   1     0.14  -0.09  -0.03    -0.14  -0.31   0.62    -0.31   0.20   0.09
    14   1    -0.14  -0.01  -0.18     0.12   0.39   0.22     0.40  -0.09   0.48
    15   1     0.00  -0.00  -0.01    -0.01  -0.01  -0.01     0.01   0.01  -0.01
    16   1    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.01   0.00
    17   1     0.00  -0.00   0.01    -0.02   0.02  -0.00     0.01  -0.03   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9863              2206.9754              2244.9874
 Red. masses --      2.1313                 2.1896                 2.2672
 Frc consts  --      5.9131                 6.2837                 6.7323
 IR Inten    --     14.5126                15.2974                14.7197
 RamAct Fr= 1--     69.1732                74.4040                57.4671
  Dep-P Fr= 1--      0.0007                 0.0631                 0.1805
  Dep-U Fr= 1--      0.0015                 0.1187                 0.3059
 Alpha2 Fr= 1--      1.5345                 1.4244                 0.8213
 Beta2  Fr= 1--      0.0170                 1.4726                 2.9296
 AlphaG Fr= 1--     -0.0000                -0.0002                -0.0000
 Gamma2 Fr= 1--      0.0001                -0.0199                 0.0550
 Delta2 Fr= 1--      0.0002                -0.0193                 0.0545
 Raman1 Fr= 1--     276.693                297.616                229.868
 ROA1   Fr= 1--       0.016                 -2.531                  7.021
 CID1   Fr= 1--       0.000                 -0.009                  0.031
 Raman2 Fr= 1--       0.204                 17.671                 35.155
 ROA2   Fr= 1--       0.001                 -0.325                  0.884
 CID2   Fr= 1--       0.005                 -0.018                  0.025
 Raman3 Fr= 1--       0.407                 35.341                 70.309
 ROA3   Fr= 1--       0.016                 -2.531                  7.021
 CID3   Fr= 1--       0.039                 -0.072                  0.100
 RC180  Fr= 1--      -0.997                 -0.763                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.10  -0.06
     3   6    -0.07  -0.07  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.01  -0.00    -0.02  -0.12   0.05    -0.00   0.00  -0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.03   0.03  -0.07
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00     0.03  -0.07  -0.02
     8   1     0.01   0.01   0.01     0.01   0.01   0.01     0.64   0.60   0.43
     9   1     0.21  -0.25   0.47     0.02  -0.01   0.03    -0.01   0.01  -0.02
    10   1     0.44   0.13  -0.35     0.02   0.01  -0.02     0.01   0.00  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.02  -0.01
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    13   1     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    15   1     0.02  -0.03  -0.01    -0.33   0.59   0.17     0.01  -0.01  -0.00
    16   1    -0.03  -0.01   0.02     0.52   0.15  -0.44    -0.01  -0.00   0.01
    17   1     0.00   0.01  -0.00    -0.07  -0.06  -0.05    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2282.9768              2284.5342              2286.0892
 Red. masses --      2.3778                 2.3769                 2.3750
 Frc consts  --      7.3018                 7.3089                 7.3131
 IR Inten    --      0.0063                16.1895                32.0882
 RamAct Fr= 1--      6.1116                36.3141                66.7266
  Dep-P Fr= 1--      0.7482                 0.7492                 0.7497
  Dep-U Fr= 1--      0.8560                 0.8566                 0.8570
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0003
 Beta2  Fr= 1--      0.8719                 5.1845                 9.5303
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.2378                -0.1461                -0.1676
 Delta2 Fr= 1--      0.2339                -0.1379                -0.1673
 Raman1 Fr= 1--      24.446                145.256                266.906
 ROA1   Fr= 1--      30.311                -18.439                -21.444
 CID1   Fr= 1--       1.240                 -0.127                 -0.080
 Raman2 Fr= 1--      10.463                 62.214                114.364
 ROA2   Fr= 1--       3.835                 -2.404                 -2.684
 CID2   Fr= 1--       0.367                 -0.039                 -0.023
 Raman3 Fr= 1--      20.926                124.428                228.728
 ROA3   Fr= 1--      30.311                -18.439                -21.444
 CID3   Fr= 1--       1.449                 -0.148                 -0.094
 RC180  Fr= 1--       0.712                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.05  -0.07    -0.03   0.13  -0.14     0.10  -0.05  -0.07
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.10   0.05   0.07    -0.00   0.00   0.00     0.10  -0.05  -0.07
     6   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     8   1     0.01   0.01   0.01     0.01   0.01   0.01     0.01   0.01   0.01
     9   1    -0.00   0.00  -0.01     0.29  -0.34   0.66     0.00  -0.00   0.01
    10   1    -0.37  -0.11   0.30    -0.31  -0.08   0.24    -0.38  -0.11   0.30
    11   1    -0.23   0.42   0.13     0.18  -0.34  -0.11    -0.22   0.41   0.12
    12   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    15   1     0.23  -0.42  -0.12     0.01  -0.01  -0.00    -0.23   0.42   0.12
    16   1     0.36   0.11  -0.31     0.01   0.00  -0.00    -0.37  -0.11   0.31
    17   1    -0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2130              3044.1525              3064.1070
 Red. masses --      1.0345                 1.0601                 1.0831
 Frc consts  --      5.5633                 5.7881                 5.9913
 IR Inten    --     32.2425                27.4236                26.1814
 RamAct Fr= 1--    135.3295               150.7604                96.4273
  Dep-P Fr= 1--      0.0004                 0.0700                 0.1962
  Dep-U Fr= 1--      0.0009                 0.1308                 0.3280
 Alpha2 Fr= 1--      3.0043                 2.8388                 1.3228
 Beta2  Fr= 1--      0.0196                 3.2876                 5.2714
 AlphaG Fr= 1--     -0.0001                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0312                -0.3802                -0.1142
 Delta2 Fr= 1--     -0.0288                -0.3400                -0.0975
 Raman1 Fr= 1--     541.318                603.042                385.709
 ROA1   Fr= 1--      -3.923                -47.380                -14.087
 CID1   Fr= 1--      -0.007                 -0.079                 -0.037
 Raman2 Fr= 1--       0.235                 39.452                 63.257
 ROA2   Fr= 1--      -0.519                 -6.405                 -1.961
 CID2   Fr= 1--      -2.212                 -0.162                 -0.031
 Raman3 Fr= 1--       0.469                 78.903                126.515
 ROA3   Fr= 1--      -3.923                -47.380                -14.087
 CID3   Fr= 1--      -8.359                 -0.600                 -0.111
 RC180  Fr= 1--      -0.998                 -0.738                 -0.344
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01     0.01  -0.02  -0.06    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.04
     6   1    -0.02   0.03  -0.06     0.24  -0.32   0.57     0.00  -0.00   0.00
     7   1     0.03  -0.05  -0.01    -0.34   0.59   0.17     0.01  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00  -0.00
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.02   0.03  -0.04
    13   1    -0.37  -0.35  -0.26    -0.05  -0.05  -0.04    -0.04  -0.04  -0.03
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.06  -0.02   0.05
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01   0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    17   1     0.02   0.02   0.02     0.01   0.01   0.01     0.64   0.60   0.46
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7363              3083.8386              3085.2195
 Red. masses --      1.1024                 1.1014                 1.1014
 Frc consts  --      6.1686                 6.1713                 6.1769
 IR Inten    --     15.8224                39.8500                54.0373
 RamAct Fr= 1--     32.2304                76.3952               102.4163
  Dep-P Fr= 1--      0.7491                 0.7455                 0.7491
  Dep-U Fr= 1--      0.8565                 0.8542                 0.8566
 Alpha2 Fr= 1--      0.0005                 0.0058                 0.0015
 Beta2  Fr= 1--      4.6011                10.8764                14.6213
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      9.0926                -1.8838                -6.6681
 Delta2 Fr= 1--      8.2925                -1.7189                -6.0815
 Raman1 Fr= 1--     128.921                305.581                409.665
 ROA1   Fr= 1--    1138.252               -235.849               -834.748
 CID1   Fr= 1--       8.829                 -0.772                 -2.038
 Raman2 Fr= 1--      55.214                130.517                175.455
 ROA2   Fr= 1--     151.883                -31.459               -111.382
 CID2   Fr= 1--       2.751                 -0.241                 -0.635
 Raman3 Fr= 1--     110.427                261.034                350.911
 ROA3   Fr= 1--    1138.252               -235.849               -834.748
 CID3   Fr= 1--      10.308                 -0.904                 -2.379
 RC180  Fr= 1--       0.713                  0.708                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.03  -0.05   0.02    -0.00   0.00  -0.00    -0.03   0.05  -0.02
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.02  -0.06    -0.08  -0.04  -0.01    -0.00   0.02  -0.07
     5   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     6   1    -0.17   0.22  -0.42     0.01  -0.01   0.02     0.17  -0.21   0.42
     7   1    -0.25   0.44   0.15    -0.00   0.01   0.00     0.22  -0.39  -0.13
     8   1     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.20  -0.25   0.44     0.03  -0.07   0.12     0.22  -0.27   0.47
    13   1     0.13   0.13   0.08     0.47   0.48   0.35     0.13   0.13   0.08
    14   1    -0.28  -0.07   0.21     0.46   0.12  -0.40    -0.30  -0.07   0.23
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.02   0.02   0.01     0.07   0.06   0.05     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   2.01410
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   455.69141 470.83471 491.63333
           X            0.77217   0.17092   0.61200
           Y            0.59830  -0.51993  -0.60968
           Z            0.21399   0.83694  -0.50373
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19007     0.18396     0.17618
 Rotational constants (GHZ):           3.96045     3.83307     3.67091
 Zero-point vibrational energy     366681.6 (Joules/Mol)
                                   87.63899 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    231.97   298.84   331.74   381.23   431.79
          (Kelvin)            436.79   537.61   548.76   563.06   979.39
                             1091.76  1108.67  1134.98  1196.11  1254.10
                             1336.01  1426.19  1450.13  1550.46  1551.42
                             1560.27  1578.65  1727.69  1761.86  1798.53
                             1886.84  1903.17  1913.60  1931.39  2031.53
                             2119.77  2155.81  2159.79  3122.13  3175.35
                             3230.04  3284.69  3286.94  3289.17  4346.85
                             4379.86  4408.57  4433.93  4436.96  4438.94
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147313
 Thermal correction to Enthalpy=                  0.148257
 Thermal correction to Gibbs Free Energy=         0.109602
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724544
 Sum of electronic and thermal Enthalpies=            -197.723600
 Sum of electronic and thermal Free Energies=         -197.762255
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.440             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.663             23.079             16.216
 Vibration     1          0.622              1.890              2.535
 Vibration     2          0.641              1.829              2.064
 Vibration     3          0.652              1.794              1.875
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.693              1.673              1.416
 Vibration     6          0.695              1.667              1.397
 Vibration     7          0.745              1.526              1.065
 Vibration     8          0.751              1.510              1.034
 Vibration     9          0.759              1.489              0.995
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.386081D-50        -50.413321       -116.080962
 Total V=0       0.670673D+14         13.826511         31.836717
 Vib (Bot)       0.122335D-62        -62.912451       -144.861272
 Vib (Bot)    1  0.125345D+01          0.098107          0.225900
 Vib (Bot)    2  0.957133D+00         -0.019028         -0.043813
 Vib (Bot)    3  0.854019D+00         -0.068533         -0.157802
 Vib (Bot)    4  0.731240D+00         -0.135940         -0.313013
 Vib (Bot)    5  0.633648D+00         -0.198152         -0.456262
 Vib (Bot)    6  0.625160D+00         -0.204009         -0.469748
 Vib (Bot)    7  0.486010D+00         -0.313355         -0.721526
 Vib (Bot)    8  0.473582D+00         -0.324605         -0.747431
 Vib (Bot)    9  0.458306D+00         -0.338844         -0.780217
 Vib (V=0)       0.212511D+02          1.327381          3.056408
 Vib (V=0)    1  0.184950D+01          0.267053          0.614913
 Vib (V=0)    2  0.157986D+01          0.198619          0.457338
 Vib (V=0)    3  0.148962D+01          0.173076          0.398521
 Vib (V=0)    4  0.138584D+01          0.141713          0.326307
 Vib (V=0)    5  0.130716D+01          0.116329          0.267858
 Vib (V=0)    6  0.130052D+01          0.114116          0.262761
 Vib (V=0)    7  0.119728D+01          0.078197          0.180056
 Vib (V=0)    8  0.118868D+01          0.075065          0.172843
 Vib (V=0)    9  0.117827D+01          0.071243          0.164044
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116261D+06          5.065436         11.663597
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 111 1111  1                                         
   000000                            2222 21                          544 4 3333 222 0000  09 9  88777  6          333 33 222 1      
   888642                            8884 07                          097 1 4321 520 9877  09 2  73875  8          987 00 630 6      
   542441                            6535 70                          183 2 2031 051 7488  81 9  21919  1          114 40 518 1      
 
   XXXXXX                            XX X XX                          XXX X XXXX XXX XXXX  X  X  XXX X             X                 
   XXXXXX                            XX X XX                          XX  X   XX X                                                   
   XXXXXX                            XX X XX                          X                                                              
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX   X                                                                                          
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX   X                            X                                                                                               
   XX   X                            X                                                                                               
   XX                                                                                                                                
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01
 Leave Link  716 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660165D+02      0.978263D+01      0.108846D+02
   yx         0.739953D-04      0.109650D-04      0.122002D-04
   yy         0.660159D+02      0.978254D+01      0.108845D+02
   zx         0.346379D-03      0.513280D-04      0.571101D-04
   zy        -0.259312D-03     -0.384261D-04     -0.427548D-04
   zz         0.660163D+02      0.978261D+01      0.108846D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199263         -1.77261307          2.27711127
     6         -2.54545343          1.37771083          0.13617663
     6          0.13192764         -1.54554816         -2.44740818
     6          2.15152903          1.94045130          0.03412954
     1         -1.25041329         -3.17768905          2.29985281
     1          0.17452139         -0.71848905          4.05005428
     1          2.06294516         -2.78069275          2.22733020
     1         -4.11526103          0.03703409          0.11598671
     1         -2.78261760          2.65548458         -1.46793626
     1         -2.69011411          2.49703043          1.86485572
     1         -1.38323255         -2.94587510         -2.52154324
     1          1.93017180         -2.54907303         -2.59353799
     1         -0.04999622         -0.32654097         -4.10361464
     1          2.10266954          3.07012063          1.76144201
     1          2.01060407          3.23088346         -1.57120850
     1          3.99110566          1.00827621         -0.06164619

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660166D+02      0.978266D+01      0.108847D+02
   yx         0.193405D-03      0.286596D-04      0.318881D-04
   yy         0.660161D+02      0.978258D+01      0.108846D+02
   zx         0.286767D-03      0.424945D-04      0.472815D-04
   zy        -0.154221D-03     -0.228532D-04     -0.254276D-04
   zz         0.660159D+02      0.978254D+01      0.108845D+02

 ----------------------------------------------------------------------
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 88\\\@


 FORGIVE MY NONSENSE AS I ALSO FORGIVE THOSE WHO THINK THEY TALK SENSE

                                                       -- ROBERT FROST
 Job cpu time:       0 days  0 hours 38 minutes  5.6 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 46.3 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:53:25 2022.
